N-benzyl-3-(piperidin-1-ylmethyl)aniline

C19H24N2 — CID 59121183

IUPACN-benzyl-3-(piperidin-1-ylmethyl)aniline
SMILESc1ccc(CNc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C19H24N2/c1-3-8-17(9-4-1)15-20-19-11-7-10-18(14-19)16-21-12-5-2-6-13-21/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16H2
InChIKeyKJDQFRZBICKSAL-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.28
Rot. Bonds5

About N-benzyl-3-(piperidin-1-ylmethyl)aniline

N-benzyl-3-(piperidin-1-ylmethyl)aniline (PubChem CID 59121183) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-benzyl-3-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-benzyl-3-(piperidin-1-ylmethyl)aniline
PubChem CID59121183
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-benzyl-3-(piperidin-1-ylmethyl)aniline
SMILESc1ccc(CNc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C19H24N2/c1-3-8-17(9-4-1)15-20-19-11-7-10-18(14-19)16-21-12-5-2-6-13-21/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16H2
InChIKeyKJDQFRZBICKSAL-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-(piperidin-1-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(piperidin-1-ylmethyl)anilino]methyl]benzoic acid
CID 122029517
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076
methyl 2-[3-[[3-(piperidin-1-ylmethyl)anilino]methyl]phenyl]acetate
CID 91339483
N-[(5-chlorothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43435775
N-[(5-bromothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691850
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
CID 168593426
1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
CID 168636923
1-benzylazepane
CID 10954328
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115743149
N-[[4-[2-[2-(2-chlorophenyl)propan-2-yl]tetrazol-5-yl]phenyl]methyl]-3-(piperidin-1-ylmethyl)aniline
CID 59121179

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(piperidin-1-ylmethyl)aniline?
The IUPAC name of N-benzyl-3-(piperidin-1-ylmethyl)aniline (CID 59121183) is N-benzyl-3-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for N-benzyl-3-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for N-benzyl-3-(piperidin-1-ylmethyl)aniline is c1ccc(CNc2cccc(CN3CCCCC3)c2)cc1.
What is the InChIKey of N-benzyl-3-(piperidin-1-ylmethyl)aniline?
The InChIKey is KJDQFRZBICKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-8-17(9-4-1)15-20-19-11-7-10-18(14-19)16-21-12-5-2-6-13-21/h1,3-4,7-11,14,20H,2,5-6,12-13,15-16H2.
What are the key properties of N-benzyl-3-(piperidin-1-ylmethyl)aniline?
N-benzyl-3-(piperidin-1-ylmethyl)aniline has a molecular weight of 280.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 59121183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).