1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride

C11H15BrCl2N2 — CID 154942013

IUPAC1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride
SMILESCl.ClNC1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H14BrClN2.ClH/c12-9-1-3-11(4-2-9)15-7-5-10(14-13)6-8-15;/h1-4,10,14H,5-8H2;1H
InChIKeyDDAKXRLWNPFABP-UHFFFAOYSA-N
MW326.07 g/mol
LogP3.58
Rot. Bonds2

About 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride

1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride (PubChem CID 154942013) has the molecular formula C11H15BrCl2N2 and a molecular weight of 326.07 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride
PubChem CID154942013
Molecular FormulaC11H15BrCl2N2
Molecular Weight326.07 g/mol
Exact Mass323.98
IUPAC Name1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride
SMILESCl.ClNC1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C11H14BrClN2.ClH/c12-9-1-3-11(4-2-9)15-7-5-10(14-13)6-8-15;/h1-4,10,14H,5-8H2;1H
InChIKeyDDAKXRLWNPFABP-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.07
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride 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

(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
1-(4-bromophenyl)-4-(dimethoxymethyl)piperidine
CID 134579327
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol
CID 71093677
2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
CID 119876264
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-cyclobutyl-2-methylguanidine
CID 119153985
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
4-[[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031026

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride (CID 154942013) is 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride is Cl.ClNC1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride?
The InChIKey is DDAKXRLWNPFABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2.ClH/c12-9-1-3-11(4-2-9)15-7-5-10(14-13)6-8-15;/h1-4,10,14H,5-8H2;1H.
What are the key properties of 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride?
1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride has a molecular weight of 326.07 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-chloropiperidin-4-amine;hydrochloride is sourced from PubChem (CID 154942013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).