1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine

C16H25ClN2 — CID 120838218

IUPAC1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCCc1cccc(Cl)c1CN1CCC(C(C)N)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-5-4-6-16(17)15(13)11-19-9-7-14(8-10-19)12(2)18/h4-6,12,14H,3,7-11,18H2,1-2H3
InChIKeyVOTQQVPFJSDGNE-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.46
Rot. Bonds4

About 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine

1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 120838218) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
PubChem CID120838218
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine
SMILESCCc1cccc(Cl)c1CN1CCC(C(C)N)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-5-4-6-16(17)15(13)11-19-9-7-14(8-10-19)12(2)18/h4-6,12,14H,3,7-11,18H2,1-2H3
InChIKeyVOTQQVPFJSDGNE-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-ethyl-6-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 120838232
1-[(2-chloro-6-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 120839784
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920676
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63848044

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine (CID 120838218) is 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine is CCc1cccc(Cl)c1CN1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is VOTQQVPFJSDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-13-5-4-6-16(17)15(13)11-19-9-7-14(8-10-19)12(2)18/h4-6,12,14H,3,7-11,18H2,1-2H3.
What are the key properties of 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 280.84 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-ethylphenyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 120838218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).