1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine

C18H29BrN2 — CID 103505245

IUPAC1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29BrN2/c1-4-17(20)18(15-5-7-16(19)8-6-15)21-11-9-14(10-12-21)13(2)3/h5-8,13-14,17-18H,4,9-12,20H2,1-3H3
InChIKeyKVMDUVULWDITTC-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.60
Rot. Bonds5

About 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine

1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine (PubChem CID 103505245) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
PubChem CID103505245
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Br)cc1)N1CCC(C(C)C)CC1
InChIInChI=1S/C18H29BrN2/c1-4-17(20)18(15-5-7-16(19)8-6-15)21-11-9-14(10-12-21)13(2)3/h5-8,13-14,17-18H,4,9-12,20H2,1-3H3
InChIKeyKVMDUVULWDITTC-UHFFFAOYSA-N
XLogP4.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-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-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidine-3,4-diol
CID 106667890
1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
CID 55016025
1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
1-(4-bromophenyl)-1-(2-methylpiperidin-1-yl)butan-2-amine
CID 55015972
1-[1-(2-amino-1-pyridin-4-ylbutyl)piperidin-4-yl]ethanol
CID 106835579
1-(2-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505296
1-[2-amino-1-(4-bromophenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451292
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
1-(4-propylpiperidin-1-yl)-1-pyridin-4-ylbutan-2-amine
CID 62200154

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine (CID 103505245) is 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine is CCC(N)C(c1ccc(Br)cc1)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
The InChIKey is KVMDUVULWDITTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-17(20)18(15-5-7-16(19)8-6-15)21-11-9-14(10-12-21)13(2)3/h5-8,13-14,17-18H,4,9-12,20H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine?
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine has a molecular weight of 353.35 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 103505245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).