N-benzyl-6-piperidin-1-ylhexan-1-amine

C18H30N2 — CID 54404338

IUPACN-benzyl-6-piperidin-1-ylhexan-1-amine
SMILESc1ccc(CNCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1(2-8-14-20-15-9-4-10-16-20)7-13-19-17-18-11-5-3-6-12-18/h3,5-6,11-12,19H,1-2,4,7-10,13-17H2
InChIKeyJIOMZZVUQWGCOK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.82
Rot. Bonds9

About N-benzyl-6-piperidin-1-ylhexan-1-amine

N-benzyl-6-piperidin-1-ylhexan-1-amine (PubChem CID 54404338) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-benzyl-6-piperidin-1-ylhexan-1-amine.

Molecular Properties

Compound NameN-benzyl-6-piperidin-1-ylhexan-1-amine
PubChem CID54404338
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-benzyl-6-piperidin-1-ylhexan-1-amine
SMILESc1ccc(CNCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1(2-8-14-20-15-9-4-10-16-20)7-13-19-17-18-11-5-3-6-12-18/h3,5-6,11-12,19H,1-2,4,7-10,13-17H2
InChIKeyJIOMZZVUQWGCOK-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-6-piperidin-1-ylhexan-1-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

3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074
3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962809
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
3-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 28658239
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
CID 146255651
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-piperidin-1-ylhexan-1-amine?
The IUPAC name of N-benzyl-6-piperidin-1-ylhexan-1-amine (CID 54404338) is N-benzyl-6-piperidin-1-ylhexan-1-amine.
What is the SMILES notation for N-benzyl-6-piperidin-1-ylhexan-1-amine?
The canonical SMILES for N-benzyl-6-piperidin-1-ylhexan-1-amine is c1ccc(CNCCCCCCN2CCCCC2)cc1.
What is the InChIKey of N-benzyl-6-piperidin-1-ylhexan-1-amine?
The InChIKey is JIOMZZVUQWGCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1(2-8-14-20-15-9-4-10-16-20)7-13-19-17-18-11-5-3-6-12-18/h3,5-6,11-12,19H,1-2,4,7-10,13-17H2.
What are the key properties of N-benzyl-6-piperidin-1-ylhexan-1-amine?
N-benzyl-6-piperidin-1-ylhexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-piperidin-1-ylhexan-1-amine is sourced from PubChem (CID 54404338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).