1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol

C16H27N3O — CID 111110859

IUPAC1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCc1ncccc1CNCC(O)CN1CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-13-5-8-19(9-6-13)12-16(20)11-17-10-15-4-3-7-18-14(15)2/h3-4,7,13,16-17,20H,5-6,8-12H2,1-2H3
InChIKeyXHOKWSFXOJCWIS-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.57
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol

1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 111110859) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
PubChem CID111110859
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
SMILESCc1ncccc1CNCC(O)CN1CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-13-5-8-19(9-6-13)12-16(20)11-17-10-15-4-3-7-18-14(15)2/h3-4,7,13,16-17,20H,5-6,8-12H2,1-2H3
InChIKeyXHOKWSFXOJCWIS-UHFFFAOYSA-N
XLogP1.57
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286
4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
CID 115611326
1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904890
1-pyrrolidin-1-yl-3-(quinolin-8-ylmethylamino)propan-2-ol
CID 78986962
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466680
1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 109481930
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylquinoline-8-carboxamide
CID 138053853
1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 115611293
4-[[[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]amino]methyl]-N-methylbenzamide
CID 110905164
1-(4-methylpiperidin-1-yl)-3-(1-phenylethylamino)propan-2-ol
CID 110904840

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol (CID 111110859) is 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol is Cc1ncccc1CNCC(O)CN1CCC(C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is XHOKWSFXOJCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13-5-8-19(9-6-13)12-16(20)11-17-10-15-4-3-7-18-14(15)2/h3-4,7,13,16-17,20H,5-6,8-12H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 111110859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).