4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine

C18H24N4 — CID 18321349

IUPAC4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
SMILESNc1cnccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H24N4/c19-18-13-20-9-6-16(18)12-21-17-7-10-22(11-8-17)14-15-4-2-1-3-5-15/h1-6,9,13,17,21H,7-8,10-12,14,19H2
InChIKeyNAJSCDGPIQCSTQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.42
Rot. Bonds5

About 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine

4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine (PubChem CID 18321349) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
PubChem CID18321349
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
SMILESNc1cnccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H24N4/c19-18-13-20-9-6-16(18)12-21-17-7-10-22(11-8-17)14-15-4-2-1-3-5-15/h1-6,9,13,17,21H,7-8,10-12,14,19H2
InChIKeyNAJSCDGPIQCSTQ-UHFFFAOYSA-N
XLogP2.42
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1-benzylpiperidin-4-yl)isoquinoline-5,8-diamine
CID 113223215
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
4-(azepan-1-ylmethyl)pyridin-3-amine
CID 117212629
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]pyridin-2-amine
CID 174350216
3-[[[4-(isoquinolin-5-ylmethyl)cyclohexyl]amino]methyl]aniline;3-[[4-(isoquinolin-5-ylmethyl)piperidin-1-yl]methyl]aniline
CID 159221807

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine?
The IUPAC name of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine (CID 18321349) is 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine is Nc1cnccc1CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine?
The InChIKey is NAJSCDGPIQCSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c19-18-13-20-9-6-16(18)12-21-17-7-10-22(11-8-17)14-15-4-2-1-3-5-15/h1-6,9,13,17,21H,7-8,10-12,14,19H2.
What are the key properties of 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine?
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 18321349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).