1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine

C19H25N3 — CID 83962786

IUPAC1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc(CN3CCCCC3)cc2)nc1
InChIInChI=1S/C19H25N3/c1-4-12-22(13-5-1)16-18-9-7-17(8-10-18)14-20-15-19-6-2-3-11-21-19/h2-3,6-11,20H,1,4-5,12-16H2
InChIKeyKCAATVXAFFHKQK-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.36
Rot. Bonds6

About 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 83962786) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID83962786
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2ccc(CN3CCCCC3)cc2)nc1
InChIInChI=1S/C19H25N3/c1-4-12-22(13-5-1)16-18-9-7-17(8-10-18)14-20-15-19-6-2-3-11-21-19/h2-3,6-11,20H,1,4-5,12-16H2
InChIKeyKCAATVXAFFHKQK-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 55684128
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-(pyridin-2-ylmethyl)-1-[4-(4,7,10,15-tetrazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methanamine
CID 45486368
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 18119444
1-[4-(azepan-1-ylmethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111673
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
1-(3-methoxy-4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 84754657
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 83962786) is 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCc2ccc(CN3CCCCC3)cc2)nc1.
What is the InChIKey of 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is KCAATVXAFFHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-4-12-22(13-5-1)16-18-9-7-17(8-10-18)14-20-15-19-6-2-3-11-21-19/h2-3,6-11,20H,1,4-5,12-16H2.
What are the key properties of 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 295.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 83962786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).