1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine

C15H23ClN2 — CID 55018564

IUPAC1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
SMILESCC1CCCN(C(c2ccccc2Cl)C(C)N)C1
InChIInChI=1S/C15H23ClN2/c1-11-6-5-9-18(10-11)15(12(2)17)13-7-3-4-8-14(13)16/h3-4,7-8,11-12,15H,5-6,9-10,17H2,1-2H3
InChIKeyJIMSFVYSJUVWRV-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine

1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine (PubChem CID 55018564) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
PubChem CID55018564
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
SMILESCC1CCCN(C(c2ccccc2Cl)C(C)N)C1
InChIInChI=1S/C15H23ClN2/c1-11-6-5-9-18(10-11)15(12(2)17)13-7-3-4-8-14(13)16/h3-4,7-8,11-12,15H,5-6,9-10,17H2,1-2H3
InChIKeyJIMSFVYSJUVWRV-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55018369
1-(2-methoxyphenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine
CID 55022025
1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55019191
1-(2-chlorophenyl)-1-(3,4-dimethoxypyrrolidin-1-yl)propan-2-amine
CID 103531121
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-chlorophenyl)propan-2-amine
CID 65319403
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)propan-2-amine
CID 79916945

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine (CID 55018564) is 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine is CC1CCCN(C(c2ccccc2Cl)C(C)N)C1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
The InChIKey is JIMSFVYSJUVWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-6-5-9-18(10-11)15(12(2)17)13-7-3-4-8-14(13)16/h3-4,7-8,11-12,15H,5-6,9-10,17H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine?
1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine has a molecular weight of 266.82 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 55018564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).