N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine

C19H23ClN2 — CID 23614409

IUPACN-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H23ClN2/c1-22-12-10-19(11-13-22)21-14-15-2-4-16(5-3-15)17-6-8-18(20)9-7-17/h2-9,19,21H,10-14H2,1H3
InChIKeyHORLZUPQUPQCAV-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.19
Rot. Bonds4

About N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine

N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine (PubChem CID 23614409) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
PubChem CID23614409
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC NameN-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H23ClN2/c1-22-12-10-19(11-13-22)21-14-15-2-4-16(5-3-15)17-6-8-18(20)9-7-17/h2-9,19,21H,10-14H2,1H3
InChIKeyHORLZUPQUPQCAV-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine (CID 23614409) is N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine?
The InChIKey is HORLZUPQUPQCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-22-12-10-19(11-13-22)21-14-15-2-4-16(5-3-15)17-6-8-18(20)9-7-17/h2-9,19,21H,10-14H2,1H3.
What are the key properties of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine?
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine has a molecular weight of 314.86 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 23614409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).