4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol

C119H241F4N15O9 — CID 160844882

IUPAC4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol
SMILESCC(C)CN1CCC(C(C)(C)CO)CC1.CC(C)CN1CCC(C(C)O)CC1.CC(C)CN1CCC(C)(CO)CC1.CC(C)CN1CCC(CC(C)(C)O)CC1.CC(C)CN1CCC(N(C)C)C(F)(F)C1.CC(C)CN1CCC(N2CC(O)C2)CC1.CC(C)CN1CCC(N2CCC(O)C2)CC1.CC(C)CN1CCC(N2CCC2)C(F)(F)C1.CC(C)CN1CCCC(C(C)(C)O)C1.CC(C)CN1CCN(C(=O)[C@@H](C)O)CC1
InChIInChI=1S/C13H26N2O.2C13H27NO.C12H22F2N2.C12H24N2O.C12H25NO.C11H22F2N2.C11H22N2O2.2C11H23NO/c1-11(2)9-14-6-3-12(4-7-14)15-8-5-13(16)10-15;1-11(2)10-14-7-5-12(6-8-14)9-13(3,4)15;1-11(2)9-14-7-5-12(6-8-14)13(3,4)10-15;1-10(2)8-15-7-4-11(12(13,14)9-15)16-5-3-6-16;1-10(2)7-13-5-3-11(4-6-13)14-8-12(15)9-14;1-10(2)8-13-7-5-6-11(9-13)12(3,4)14;1-9(2)7-15-6-5-10(14(3)4)11(12,13)8-15;1-9(2)8-12-4-6-13(7-5-12)11(15)10(3)14;1-10(2)8-12-6-4-11(3,9-13)5-7-12;1-9(2)8-12-6-4-11(5-7-12)10(3)13/h11-13,16H,3-10H2,1-2H3;2*11-12,15H,5-10H2,1-4H3;10-11H,3-9H2,1-2H3;10-12,15H,3-9H2,1-2H3;10-11,14H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10,14H,4-8H2,1-3H3;10,13H,4-9H2,1-3H3;9-11,13H,4-8H2,1-3H3/t;;;;;;;10-;;/m.......1../s1
InChIKeySIMXZEGOBXMRJM-MHWRXJHZSA-N
MW2102.32 g/mol
LogP16.58
Rot. Bonds32

About 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol

4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol (PubChem CID 160844882) has the molecular formula C119H241F4N15O9 and a molecular weight of 2102.32 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol
PubChem CID160844882
Molecular FormulaC119H241F4N15O9
Molecular Weight2102.32 g/mol
Exact Mass2100.88
IUPAC Name4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol
SMILESCC(C)CN1CCC(C(C)(C)CO)CC1.CC(C)CN1CCC(C(C)O)CC1.CC(C)CN1CCC(C)(CO)CC1.CC(C)CN1CCC(CC(C)(C)O)CC1.CC(C)CN1CCC(N(C)C)C(F)(F)C1.CC(C)CN1CCC(N2CC(O)C2)CC1.CC(C)CN1CCC(N2CCC(O)C2)CC1.CC(C)CN1CCC(N2CCC2)C(F)(F)C1.CC(C)CN1CCCC(C(C)(C)O)C1.CC(C)CN1CCN(C(=O)[C@@H](C)O)CC1
InChIInChI=1S/C13H26N2O.2C13H27NO.C12H22F2N2.C12H24N2O.C12H25NO.C11H22F2N2.C11H22N2O2.2C11H23NO/c1-11(2)9-14-6-3-12(4-7-14)15-8-5-13(16)10-15;1-11(2)10-14-7-5-12(6-8-14)9-13(3,4)15;1-11(2)9-14-7-5-12(6-8-14)13(3,4)10-15;1-10(2)8-15-7-4-11(12(13,14)9-15)16-5-3-6-16;1-10(2)7-13-5-3-11(4-6-13)14-8-12(15)9-14;1-10(2)8-13-7-5-6-11(9-13)12(3,4)14;1-9(2)7-15-6-5-10(14(3)4)11(12,13)8-15;1-9(2)8-12-4-6-13(7-5-12)11(15)10(3)14;1-10(2)8-12-6-4-11(3,9-13)5-7-12;1-9(2)8-12-6-4-11(5-7-12)10(3)13/h11-13,16H,3-10H2,1-2H3;2*11-12,15H,5-10H2,1-4H3;10-11H,3-9H2,1-2H3;10-12,15H,3-9H2,1-2H3;10-11,14H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10,14H,4-8H2,1-3H3;10,13H,4-9H2,1-3H3;9-11,13H,4-8H2,1-3H3/t;;;;;;;10-;;/m.......1../s1
InChIKeySIMXZEGOBXMRJM-MHWRXJHZSA-N
XLogP16.58
TPSA227.51 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002102.32
LogP ≤ 516.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol (CID 160844882) is 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol is CC(C)CN1CCC(C(C)(C)CO)CC1.CC(C)CN1CCC(C(C)O)CC1.CC(C)CN1CCC(C)(CO)CC1.CC(C)CN1CCC(CC(C)(C)O)CC1.CC(C)CN1CCC(N(C)C)C(F)(F)C1.CC(C)CN1CCC(N2CC(O)C2)CC1.CC(C)CN1CCC(N2CCC(O)C2)CC1.CC(C)CN1CCC(N2CCC2)C(F)(F)C1.CC(C)CN1CCCC(C(C)(C)O)C1.CC(C)CN1CCN(C(=O)[C@@H](C)O)CC1.
What is the InChIKey of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is SIMXZEGOBXMRJM-MHWRXJHZSA-N. The full InChI is InChI=1S/C13H26N2O.2C13H27NO.C12H22F2N2.C12H24N2O.C12H25NO.C11H22F2N2.C11H22N2O2.2C11H23NO/c1-11(2)9-14-6-3-12(4-7-14)15-8-5-13(16)10-15;1-11(2)10-14-7-5-12(6-8-14)9-13(3,4)15;1-11(2)9-14-7-5-12(6-8-14)13(3,4)10-15;1-10(2)8-15-7-4-11(12(13,14)9-15)16-5-3-6-16;1-10(2)7-13-5-3-11(4-6-13)14-8-12(15)9-14;1-10(2)8-13-7-5-6-11(9-13)12(3,4)14;1-9(2)7-15-6-5-10(14(3)4)11(12,13)8-15;1-9(2)8-12-4-6-13(7-5-12)11(15)10(3)14;1-10(2)8-12-6-4-11(3,9-13)5-7-12;1-9(2)8-12-6-4-11(5-7-12)10(3)13/h11-13,16H,3-10H2,1-2H3;2*11-12,15H,5-10H2,1-4H3;10-11H,3-9H2,1-2H3;10-12,15H,3-9H2,1-2H3;10-11,14H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9-10,14H,4-8H2,1-3H3;10,13H,4-9H2,1-3H3;9-11,13H,4-8H2,1-3H3/t;;;;;;;10-;;/m.......1../s1.
What are the key properties of 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol?
4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 2102.32 g/mol, XLogP of 16.58, 32 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-3,3-difluoro-1-(2-methylpropyl)piperidine;3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;(2R)-2-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methanol;2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol;2-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]propan-1-ol;1-[1-(2-methylpropyl)piperidin-4-yl]azetidin-3-ol;1-[1-(2-methylpropyl)piperidin-4-yl]ethanol;2-[1-(2-methylpropyl)piperidin-3-yl]propan-2-ol;1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 160844882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).