N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine

C20H32N2 — CID 83993911

IUPACN-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
SMILESCCCCC1CC(NCc2ccccc2)CN(CC2CC2)C1
InChIInChI=1S/C20H32N2/c1-2-3-7-19-12-20(16-22(15-19)14-18-10-11-18)21-13-17-8-5-4-6-9-17/h4-6,8-9,18-21H,2-3,7,10-16H2,1H3
InChIKeyYEFDWHYQFKSDBM-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.07
Rot. Bonds8

About N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine

N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine (PubChem CID 83993911) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
PubChem CID83993911
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
SMILESCCCCC1CC(NCc2ccccc2)CN(CC2CC2)C1
InChIInChI=1S/C20H32N2/c1-2-3-7-19-12-20(16-22(15-19)14-18-10-11-18)21-13-17-8-5-4-6-9-17/h4-6,8-9,18-21H,2-3,7,10-16H2,1H3
InChIKeyYEFDWHYQFKSDBM-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-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

N-benzyl-5-butyl-1-methylpiperidin-3-amine
CID 83993440
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
N-benzyl-5-butyl-1-(1-cyclopropylethyl)piperidin-3-amine
CID 83993929
N-benzyl-1-butyl-5-methylpiperidin-3-amine
CID 112541370
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
N,1-bis(cyclopropylmethyl)-5-propylpiperidin-3-amine
CID 83996677
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
CID 83994006
3-[5-(benzylamino)-1-cyclobutylpiperidin-3-yl]propan-1-ol
CID 83993883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine?
The IUPAC name of N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine (CID 83993911) is N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine.
What is the SMILES notation for N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine?
The canonical SMILES for N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine is CCCCC1CC(NCc2ccccc2)CN(CC2CC2)C1.
What is the InChIKey of N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine?
The InChIKey is YEFDWHYQFKSDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-2-3-7-19-12-20(16-22(15-19)14-18-10-11-18)21-13-17-8-5-4-6-9-17/h4-6,8-9,18-21H,2-3,7,10-16H2,1H3.
What are the key properties of N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine?
N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine has a molecular weight of 300.49 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine is sourced from PubChem (CID 83993911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).