1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine

C15H23ClN2 — CID 106865562

IUPAC1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCc1ccc(CN2CCCCC2C(C)N)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-6-7-13(14(16)9-11)10-18-8-4-3-5-15(18)12(2)17/h6-7,9,12,15H,3-5,8,10,17H2,1-2H3
InChIKeySPKSENVSZGSPDQ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.35
Rot. Bonds3

About 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 106865562) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID106865562
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCc1ccc(CN2CCCCC2C(C)N)c(Cl)c1
InChIInChI=1S/C15H23ClN2/c1-11-6-7-13(14(16)9-11)10-18-8-4-3-5-15(18)12(2)17/h6-7,9,12,15H,3-5,8,10,17H2,1-2H3
InChIKeySPKSENVSZGSPDQ-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
2-(chloromethyl)-1-[(2-chloro-4-methylphenyl)methyl]azepane
CID 106869918
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
2-(2-bromoethyl)-1-[(2-chloro-4-methylphenyl)methyl]piperidine
CID 106869853
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
1-[(2-chloro-4-methylphenyl)methyl]azepane-2-carboxylic acid
CID 106865263
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-one
CID 106863580
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine (CID 106865562) is 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine is Cc1ccc(CN2CCCCC2C(C)N)c(Cl)c1.
What is the InChIKey of 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is SPKSENVSZGSPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-6-7-13(14(16)9-11)10-18-8-4-3-5-15(18)12(2)17/h6-7,9,12,15H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 106865562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).