1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol

C64H129N11O3 — CID 159273558

IUPAC1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)N1CCC(N2CCC(O)C2)CC1.CC(C)N1CCC(N2CCCC(O)C2)CC1.CC(C)N1CCC(N2CCCCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H28N2.C13H27N3.C13H26N2O.2C12H24N2O/c1-13(2)15-11-7-14(8-12-15)16-9-5-3-4-6-10-16;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)14-8-5-12(6-9-14)15-7-3-4-13(16)10-15;1-10(2)13-6-3-11(4-7-13)14-8-5-12(15)9-14;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14/h13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-13,16H,3-10H2,1-2H3;10-12,15H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyKXZWYSMQWXLXSU-UHFFFAOYSA-N
MW1100.81 g/mol
LogP7.27
Rot. Bonds10

About 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol

1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol (PubChem CID 159273558) has the molecular formula C64H129N11O3 and a molecular weight of 1100.81 g/mol. Its IUPAC name is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol
PubChem CID159273558
Molecular FormulaC64H129N11O3
Molecular Weight1100.81 g/mol
Exact Mass1100.03
IUPAC Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)N1CCC(N2CCC(O)C2)CC1.CC(C)N1CCC(N2CCCC(O)C2)CC1.CC(C)N1CCC(N2CCCCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H28N2.C13H27N3.C13H26N2O.2C12H24N2O/c1-13(2)15-11-7-14(8-12-15)16-9-5-3-4-6-10-16;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)14-8-5-12(6-9-14)15-7-3-4-13(16)10-15;1-10(2)13-6-3-11(4-7-13)14-8-5-12(15)9-14;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14/h13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-13,16H,3-10H2,1-2H3;10-12,15H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3
InChIKeyKXZWYSMQWXLXSU-UHFFFAOYSA-N
XLogP7.27
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001100.81
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol (CID 159273558) is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol is CC(C)N1CCC(N2CCC(O)C2)CC1.CC(C)N1CCC(N2CCCC(O)C2)CC1.CC(C)N1CCC(N2CCCCCC2)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
The InChIKey is KXZWYSMQWXLXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H27N3.C13H26N2O.2C12H24N2O/c1-13(2)15-11-7-14(8-12-15)16-9-5-3-4-6-10-16;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)14-8-5-12(6-9-14)15-7-3-4-13(16)10-15;1-10(2)13-6-3-11(4-7-13)14-8-5-12(15)9-14;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14/h13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-13,16H,3-10H2,1-2H3;10-12,15H,3-9H2,1-2H3;11-12H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol?
1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol has a molecular weight of 1100.81 g/mol, XLogP of 7.27, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)azepane;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 159273558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).