1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine

C16H25ClN2 — CID 104595035

IUPAC1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CC1(C)CCCCN1
InChIInChI=1S/C16H25ClN2/c1-13(14-6-8-15(17)9-7-14)19(3)12-16(2)10-4-5-11-18-16/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyILCAPHHENCIOOV-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine

1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine (PubChem CID 104595035) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
PubChem CID104595035
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine
SMILESCC(c1ccc(Cl)cc1)N(C)CC1(C)CCCCN1
InChIInChI=1S/C16H25ClN2/c1-13(14-6-8-15(17)9-7-14)19(3)12-16(2)10-4-5-11-18-16/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyILCAPHHENCIOOV-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Homochlorcyclizine
CID 3627
Norchlorcyclizine
CID 9340
Chlorcyclizine Hydrochloride
CID 62413
Meclozine Dihydrochloride
CID 64713
Meclizine Monohydrochloride
CID 92303
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Clobenzorex
CID 735998
4-chloro-N-cyclopentylbenzylamine
CID 834083
1-Methyl-3-phenylpiperazine
CID 2760009
Clocinizine
CID 5375618

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine (CID 104595035) is 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine is CC(c1ccc(Cl)cc1)N(C)CC1(C)CCCCN1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is ILCAPHHENCIOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13(14-6-8-15(17)9-7-14)19(3)12-16(2)10-4-5-11-18-16/h6-9,13,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine?
1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 280.84 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[(2-methylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 104595035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).