N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine

C14H21ClN2 — CID 23931096

IUPACN-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCc2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-17-10-7-13(8-11-17)16-9-6-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyKLQQBOCXNLMLEQ-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.57
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine

N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine (PubChem CID 23931096) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
PubChem CID23931096
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCCc2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-17-10-7-13(8-11-17)16-9-6-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyKLQQBOCXNLMLEQ-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
CID 115714524
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111882975
1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43222996
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
N-[4-[4-[2-(2-chlorophenyl)ethylamino]piperidin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 42167607
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine (CID 23931096) is N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine is CN1CCC(NCCc2ccccc2Cl)CC1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is KLQQBOCXNLMLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17-10-7-13(8-11-17)16-9-6-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine?
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 23931096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).