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

C15H24Cl2N2 — CID 120728637

IUPAC2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1cc(Cl)ccc1CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-12-9-15(16)5-4-14(12)11-18-8-2-3-13(10-18)6-7-17;/h4-5,9,13H,2-3,6-8,10-11,17H2,1H3;1H
InChIKeyYOOJTYRDAQBGMD-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.63
Rot. Bonds4

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

2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728637) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728637
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1cc(Cl)ccc1CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-12-9-15(16)5-4-14(12)11-18-8-2-3-13(10-18)6-7-17;/h4-5,9,13H,2-3,6-8,10-11,17H2,1H3;1H
InChIKeyYOOJTYRDAQBGMD-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 114075996
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]ethanamine
CID 117045104
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728637) is 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is Cc1cc(Cl)ccc1CN1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is YOOJTYRDAQBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2.ClH/c1-12-9-15(16)5-4-14(12)11-18-8-2-3-13(10-18)6-7-17;/h4-5,9,13H,2-3,6-8,10-11,17H2,1H3;1H.
What are the key properties of 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 303.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).