3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine

C19H25N3 — CID 138381379

IUPAC3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine
SMILESCC(c1ccc(Cc2cccnc2N)cc1)N1CCCCC1
InChIInChI=1S/C19H25N3/c1-15(22-12-3-2-4-13-22)17-9-7-16(8-10-17)14-18-6-5-11-21-19(18)20/h5-11,15H,2-4,12-14H2,1H3,(H2,20,21)
InChIKeyVTYWILREQJIZFG-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.80
Rot. Bonds4

About 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine

3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 138381379) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine
PubChem CID138381379
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine
SMILESCC(c1ccc(Cc2cccnc2N)cc1)N1CCCCC1
InChIInChI=1S/C19H25N3/c1-15(22-12-3-2-4-13-22)17-9-7-16(8-10-17)14-18-6-5-11-21-19(18)20/h5-11,15H,2-4,12-14H2,1H3,(H2,20,21)
InChIKeyVTYWILREQJIZFG-UHFFFAOYSA-N
XLogP3.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-cyclobutylphenyl)methyl]pyridin-2-amine
CID 116506701
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
1-[4-(1-pyrrolidin-1-ylethyl)phenyl]ethanamine;hydrochloride
CID 67217460
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 107560925
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
1-(2-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056779
(2R)-N-[(2-amino-3-pyridinyl)methyl]-2-methyl-3-piperidin-1-ylpropanamide
CID 125442236

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine (CID 138381379) is 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine is CC(c1ccc(Cc2cccnc2N)cc1)N1CCCCC1.
What is the InChIKey of 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is VTYWILREQJIZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15(22-12-3-2-4-13-22)17-9-7-16(8-10-17)14-18-6-5-11-21-19(18)20/h5-11,15H,2-4,12-14H2,1H3,(H2,20,21).
What are the key properties of 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine?
3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-piperidin-1-ylethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 138381379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).