4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)

C87H139N13O9 — CID 159336239

IUPAC4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)
SMILESCC(C)c1ccc(N2CCC(C)(O)CC2)cn1.CC(C)c1ccc(N2CCC(C)(O)CC2)cn1.CC(C)c1ccc(N2CCC(O)(CN(C)C)CC2)cn1.COCC1(O)CCN(c2ccc(C(C)C)nc2)CC1.COc1cc(C(C)C)ncc1N1CCC(O)CC1.COc1cc(N2CCC(O)CC2)cnc1C(C)C
InChIInChI=1S/C16H27N3O.C15H24N2O2.2C14H22N2O2.2C14H22N2O/c1-13(2)15-6-5-14(11-17-15)19-9-7-16(20,8-10-19)12-18(3)4;1-12(2)14-5-4-13(10-16-14)17-8-6-15(18,7-9-17)11-19-3;1-10(2)14-13(18-3)8-11(9-15-14)16-6-4-12(17)5-7-16;1-10(2)12-8-14(18-3)13(9-15-12)16-6-4-11(17)5-7-16;2*1-11(2)13-5-4-12(10-15-13)16-8-6-14(3,17)7-9-16/h5-6,11,13,20H,7-10,12H2,1-4H3;4-5,10,12,18H,6-9,11H2,1-3H3;8-10,12,17H,4-7H2,1-3H3;8-11,17H,4-7H2,1-3H3;2*4-5,10-11,17H,6-9H2,1-3H3
InChIKeyLFONGUZMDDFPSW-UHFFFAOYSA-N
MW1511.15 g/mol
LogP13.74
Rot. Bonds18

About 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)

4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol) (PubChem CID 159336239) has the molecular formula C87H139N13O9 and a molecular weight of 1511.15 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol).

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)
PubChem CID159336239
Molecular FormulaC87H139N13O9
Molecular Weight1511.15 g/mol
Exact Mass1510.08
IUPAC Name4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)
SMILESCC(C)c1ccc(N2CCC(C)(O)CC2)cn1.CC(C)c1ccc(N2CCC(C)(O)CC2)cn1.CC(C)c1ccc(N2CCC(O)(CN(C)C)CC2)cn1.COCC1(O)CCN(c2ccc(C(C)C)nc2)CC1.COc1cc(C(C)C)ncc1N1CCC(O)CC1.COc1cc(N2CCC(O)CC2)cnc1C(C)C
InChIInChI=1S/C16H27N3O.C15H24N2O2.2C14H22N2O2.2C14H22N2O/c1-13(2)15-6-5-14(11-17-15)19-9-7-16(20,8-10-19)12-18(3)4;1-12(2)14-5-4-13(10-16-14)17-8-6-15(18,7-9-17)11-19-3;1-10(2)14-13(18-3)8-11(9-15-14)16-6-4-12(17)5-7-16;1-10(2)12-8-14(18-3)13(9-15-12)16-6-4-11(17)5-7-16;2*1-11(2)13-5-4-12(10-15-13)16-8-6-14(3,17)7-9-16/h5-6,11,13,20H,7-10,12H2,1-4H3;4-5,10,12,18H,6-9,11H2,1-3H3;8-10,12,17H,4-7H2,1-3H3;8-11,17H,4-7H2,1-3H3;2*4-5,10-11,17H,6-9H2,1-3H3
InChIKeyLFONGUZMDDFPSW-UHFFFAOYSA-N
XLogP13.74
TPSA249.09 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001511.15
LogP ≤ 513.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol) with MolForge

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Launch Full Analysis

Related Compounds

4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-[(4-methylpiperazin-1-yl)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(morpholin-4-ylmethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(6-propan-2-yl-3-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 159273543
3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
CID 153422486
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
N,N-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine
CID 153422507
1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]-4-(methoxymethyl)piperidin-4-ol;2-(1,4-dimethylpiperidin-4-yl)-6-propan-2-ylpyridine;(3R)-3-(morpholin-4-ylmethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;(3S)-3-(morpholin-4-ylmethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;3-(morpholin-4-ylmethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;(3S)-1-[(1S)-1-(6-propan-2-yl-3-pyridinyl)ethyl]piperidin-3-ol;(3R)-1-[1-(6-propan-2-yl-3-pyridinyl)ethyl]piperidin-3-ol;(3S)-1-[1-(6-propan-2-yl-3-pyridinyl)ethyl]piperidin-3-ol
CID 167544669
1-[6-(1-aminoethyl)-3-pyridinyl]piperidin-4-ol
CID 83122211
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251
1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122210
1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol
CID 172575874
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)?
The IUPAC name of 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol) (CID 159336239) is 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol).
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol) is CC(C)c1ccc(N2CCC(C)(O)CC2)cn1.CC(C)c1ccc(N2CCC(C)(O)CC2)cn1.CC(C)c1ccc(N2CCC(O)(CN(C)C)CC2)cn1.COCC1(O)CCN(c2ccc(C(C)C)nc2)CC1.COc1cc(C(C)C)ncc1N1CCC(O)CC1.COc1cc(N2CCC(O)CC2)cnc1C(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)?
The InChIKey is LFONGUZMDDFPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.C15H24N2O2.2C14H22N2O2.2C14H22N2O/c1-13(2)15-6-5-14(11-17-15)19-9-7-16(20,8-10-19)12-18(3)4;1-12(2)14-5-4-13(10-16-14)17-8-6-15(18,7-9-17)11-19-3;1-10(2)14-13(18-3)8-11(9-15-14)16-6-4-12(17)5-7-16;1-10(2)12-8-14(18-3)13(9-15-12)16-6-4-11(17)5-7-16;2*1-11(2)13-5-4-12(10-15-13)16-8-6-14(3,17)7-9-16/h5-6,11,13,20H,7-10,12H2,1-4H3;4-5,10,12,18H,6-9,11H2,1-3H3;8-10,12,17H,4-7H2,1-3H3;8-11,17H,4-7H2,1-3H3;2*4-5,10-11,17H,6-9H2,1-3H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol)?
4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol) has a molecular weight of 1511.15 g/mol, XLogP of 13.74, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;4-(methoxymethyl)-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(4-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;1-(5-methoxy-6-propan-2-yl-3-pyridinyl)piperidin-4-ol;bis(4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol) is sourced from PubChem (CID 159336239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).