1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine

C15H23ClN2 — CID 63249282

IUPAC1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C(C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-12(14-8-3-4-9-15(14)16)18-10-6-5-7-13(18)11-17-2/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyMIVCNGNVHQAWFO-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds4

About 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63249282) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63249282
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C(C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2/c1-12(14-8-3-4-9-15(14)16)18-10-6-5-7-13(18)11-17-2/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyMIVCNGNVHQAWFO-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249528
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
CID 63249483
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153
N-methyl-1-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-2-yl]methanamine
CID 63249107
1-[1-(2-chlorophenyl)ethyl]-2-pyrrolidin-2-ylpiperidine
CID 63256309
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine (CID 63249282) is 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1C(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is MIVCNGNVHQAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(14-8-3-4-9-15(14)16)18-10-6-5-7-13(18)11-17-2/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3.
What are the key properties of 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63249282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).