5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol

C22H31N3O2 — CID 56882991

IUPAC5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)C2CCCN(CCc3ccccc3)C2)c1O
InChIInChI=1S/C22H31N3O2/c1-17-22(27)21(19(16-26)13-23-17)15-24(2)20-9-6-11-25(14-20)12-10-18-7-4-3-5-8-18/h3-5,7-8,13,20,26-27H,6,9-12,14-16H2,1-2H3
InChIKeyYVRFXDQMLPYCFN-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.73
Rot. Bonds7

About 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol (PubChem CID 56882991) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol
PubChem CID56882991
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)C2CCCN(CCc3ccccc3)C2)c1O
InChIInChI=1S/C22H31N3O2/c1-17-22(27)21(19(16-26)13-23-17)15-24(2)20-9-6-11-25(14-20)12-10-18-7-4-3-5-8-18/h3-5,7-8,13,20,26-27H,6,9-12,14-16H2,1-2H3
InChIKeyYVRFXDQMLPYCFN-UHFFFAOYSA-N
XLogP2.73
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol with MolForge

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Related Compounds

2-methoxy-5-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]phenol
CID 45174860
N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide
CID 95718153
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
N-benzyl-N-ethyl-1-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 131908589
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-(2-phenylethyl)piperidin-3-amine
CID 51635760
(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
CID 45169944
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 45229832
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol (CID 56882991) is 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol is Cc1ncc(CO)c(CN(C)C2CCCN(CCc3ccccc3)C2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol?
The InChIKey is YVRFXDQMLPYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-22(27)21(19(16-26)13-23-17)15-24(2)20-9-6-11-25(14-20)12-10-18-7-4-3-5-8-18/h3-5,7-8,13,20,26-27H,6,9-12,14-16H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol has a molecular weight of 369.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[methyl-[1-(2-phenylethyl)piperidin-3-yl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 56882991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).