N-(2-benzylbutyl)-1-methylpiperidin-4-amine

C17H28N2 — CID 50954737

IUPACN-(2-benzylbutyl)-1-methylpiperidin-4-amine
SMILESCCC(CNC1CCN(C)CC1)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-3-15(13-16-7-5-4-6-8-16)14-18-17-9-11-19(2)12-10-17/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyHRQZRRWCVAUMRK-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.94
Rot. Bonds6

About N-(2-benzylbutyl)-1-methylpiperidin-4-amine

N-(2-benzylbutyl)-1-methylpiperidin-4-amine (PubChem CID 50954737) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(2-benzylbutyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-benzylbutyl)-1-methylpiperidin-4-amine
PubChem CID50954737
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(2-benzylbutyl)-1-methylpiperidin-4-amine
SMILESCCC(CNC1CCN(C)CC1)Cc1ccccc1
InChIInChI=1S/C17H28N2/c1-3-15(13-16-7-5-4-6-8-16)14-18-17-9-11-19(2)12-10-17/h4-8,15,17-18H,3,9-14H2,1-2H3
InChIKeyHRQZRRWCVAUMRK-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-benzylbutyl)-1-methylpiperidin-4-amine 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

1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 115254844
N-[2-[(4-chlorophenyl)methyl]butyl]cyclopropanamine
CID 62531188
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
2-benzyl-3-(cyclopropylamino)propan-1-ol
CID 117241557
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
1-(2-benzylbutyl)-4-methylpiperazine;ethane
CID 90910266
2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
N-[(2S)-2-hydrazinyl-2-phenylethyl]-1-methylpiperidin-4-amine
CID 126609529
N-[2-benzyl-3-(3-methylphenyl)propyl]cyclopropanamine
CID 62531282

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2-benzylbutyl)-1-methylpiperidin-4-amine (CID 50954737) is N-(2-benzylbutyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2-benzylbutyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2-benzylbutyl)-1-methylpiperidin-4-amine is CCC(CNC1CCN(C)CC1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)-1-methylpiperidin-4-amine?
The InChIKey is HRQZRRWCVAUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15(13-16-7-5-4-6-8-16)14-18-17-9-11-19(2)12-10-17/h4-8,15,17-18H,3,9-14H2,1-2H3.
What are the key properties of N-(2-benzylbutyl)-1-methylpiperidin-4-amine?
N-(2-benzylbutyl)-1-methylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 50954737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).