1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine

C15H23ClN2 — CID 55019191

IUPAC1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
SMILESCC1CCN(C(c2ccccc2Cl)C(C)N)CC1
InChIInChI=1S/C15H23ClN2/c1-11-7-9-18(10-8-11)15(12(2)17)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeyJKDYISNSPNUCDP-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine

1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine (PubChem CID 55019191) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
PubChem CID55019191
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
SMILESCC1CCN(C(c2ccccc2Cl)C(C)N)CC1
InChIInChI=1S/C15H23ClN2/c1-11-7-9-18(10-8-11)15(12(2)17)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10,17H2,1-2H3
InChIKeyJKDYISNSPNUCDP-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine (CID 55019191) is 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine is CC1CCN(C(c2ccccc2Cl)C(C)N)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine?
The InChIKey is JKDYISNSPNUCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-7-9-18(10-8-11)15(12(2)17)13-5-3-4-6-14(13)16/h3-6,11-12,15H,7-10,17H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine?
1-(2-chlorophenyl)-1-(4-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-(4-methylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 55019191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).