N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine

C16H23BrN2 — CID 61211031

IUPACN-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H23BrN2/c1-19-8-2-3-15(11-19)18-16-9-13(10-16)12-4-6-14(17)7-5-12/h4-7,13,15-16,18H,2-3,8-11H2,1H3
InChIKeyUFDQNJFLRAVVPH-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.38
Rot. Bonds3

About N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine

N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine (PubChem CID 61211031) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
PubChem CID61211031
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC NameN-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NC2CC(c3ccc(Br)cc3)C2)C1
InChIInChI=1S/C16H23BrN2/c1-19-8-2-3-15(11-19)18-16-9-13(10-16)12-4-6-14(17)7-5-12/h4-7,13,15-16,18H,2-3,8-11H2,1H3
InChIKeyUFDQNJFLRAVVPH-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-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

1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
CID 61210851
N-[3-(4-bromophenyl)cyclobutyl]-1-ethylpiperidin-3-amine
CID 61171937
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
5-[[3-(4-bromophenyl)cyclobutyl]amino]-1-methylpiperidin-2-one
CID 64654323
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 107167321
3-(4-bromophenyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclobutan-1-amine
CID 63897610
N-cyclopentyl-1-methyl-5-(4-methylphenyl)piperidin-3-amine
CID 83999699
3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
CID 116988194
3-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79082739
N-cyclopentyl-1-methyl-5-phenylpiperidin-3-amine
CID 83999692
3-N-(1-methylpiperidin-3-yl)cyclopentane-1,3-diamine
CID 79462882

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine (CID 61211031) is N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine is CN1CCCC(NC2CC(c3ccc(Br)cc3)C2)C1.
What is the InChIKey of N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine?
The InChIKey is UFDQNJFLRAVVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-19-8-2-3-15(11-19)18-16-9-13(10-16)12-4-6-14(17)7-5-12/h4-7,13,15-16,18H,2-3,8-11H2,1H3.
What are the key properties of N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine?
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine has a molecular weight of 323.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61211031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).