N-benzyl-1-(2-chloroethyl)piperidin-3-amine

C14H21ClN2 — CID 131162483

IUPACN-benzyl-1-(2-chloroethyl)piperidin-3-amine
SMILESClCCN1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C14H21ClN2/c15-8-10-17-9-4-7-14(12-17)16-11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyMXXLYVIWWDVEAZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.48
Rot. Bonds5

About N-benzyl-1-(2-chloroethyl)piperidin-3-amine

N-benzyl-1-(2-chloroethyl)piperidin-3-amine (PubChem CID 131162483) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-benzyl-1-(2-chloroethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-benzyl-1-(2-chloroethyl)piperidin-3-amine
PubChem CID131162483
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-benzyl-1-(2-chloroethyl)piperidin-3-amine
SMILESClCCN1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C14H21ClN2/c15-8-10-17-9-4-7-14(12-17)16-11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyMXXLYVIWWDVEAZ-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-1-(2-chloroethyl)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-1-butylpiperidin-3-amine
CID 83993554
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45244892
N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
CID 45222723
benzene;N-benzylcyclohexanamine
CID 142622843
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-chloroethyl)piperidin-3-amine?
The IUPAC name of N-benzyl-1-(2-chloroethyl)piperidin-3-amine (CID 131162483) is N-benzyl-1-(2-chloroethyl)piperidin-3-amine.
What is the SMILES notation for N-benzyl-1-(2-chloroethyl)piperidin-3-amine?
The canonical SMILES for N-benzyl-1-(2-chloroethyl)piperidin-3-amine is ClCCN1CCCC(NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-1-(2-chloroethyl)piperidin-3-amine?
The InChIKey is MXXLYVIWWDVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c15-8-10-17-9-4-7-14(12-17)16-11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of N-benzyl-1-(2-chloroethyl)piperidin-3-amine?
N-benzyl-1-(2-chloroethyl)piperidin-3-amine has a molecular weight of 252.79 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-chloroethyl)piperidin-3-amine is sourced from PubChem (CID 131162483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).