1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol

C19H25N3O — CID 71977852

IUPAC1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNCc2cccnc2)CC1
InChIInChI=1S/C19H25N3O/c23-19-7-10-22(11-8-19)15-18-6-2-1-5-17(18)14-21-13-16-4-3-9-20-12-16/h1-6,9,12,19,21,23H,7-8,10-11,13-15H2
InChIKeyNMRPXOPMMNFQOA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.33
Rot. Bonds6

About 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 71977852) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
PubChem CID71977852
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNCc2cccnc2)CC1
InChIInChI=1S/C19H25N3O/c23-19-7-10-22(11-8-19)15-18-6-2-1-5-17(18)14-21-13-16-4-3-9-20-12-16/h1-6,9,12,19,21,23H,7-8,10-11,13-15H2
InChIKeyNMRPXOPMMNFQOA-UHFFFAOYSA-N
XLogP2.33
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
1-[(4-fluoronaphthalen-1-yl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 167936968
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol (CID 71977852) is 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccccc2CNCc2cccnc2)CC1.
What is the InChIKey of 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is NMRPXOPMMNFQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-19-7-10-22(11-8-19)15-18-6-2-1-5-17(18)14-21-13-16-4-3-9-20-12-16/h1-6,9,12,19,21,23H,7-8,10-11,13-15H2.
What are the key properties of 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 311.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 71977852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).