2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine

C15H23ClN2 — CID 106817832

IUPAC2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(CCN)CC2)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-12-2-3-14(10-15(12)16)11-18-8-5-13(4-7-17)6-9-18/h2-3,10,13H,4-9,11,17H2,1H3
InChIKeyBJUPXYIZZVQWKJ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.21
Rot. Bonds4

About 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine

2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 106817832) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID106817832
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCc1ccc(CN2CCC(CCN)CC2)cc1Cl
InChIInChI=1S/C15H23ClN2/c1-12-2-3-14(10-15(12)16)11-18-8-5-13(4-7-17)6-9-18/h2-3,10,13H,4-9,11,17H2,1H3
InChIKeyBJUPXYIZZVQWKJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]ethylcarbamic acid
CID 68847048
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 83230630
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine (CID 106817832) is 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine is Cc1ccc(CN2CCC(CCN)CC2)cc1Cl.
What is the InChIKey of 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is BJUPXYIZZVQWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12-2-3-14(10-15(12)16)11-18-8-5-13(4-7-17)6-9-18/h2-3,10,13H,4-9,11,17H2,1H3.
What are the key properties of 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine?
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 106817832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).