N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine

C21H27ClN2 — CID 23614405

IUPACN-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-16(2)24-13-11-21(12-14-24)23-15-17-3-5-18(6-4-17)19-7-9-20(22)10-8-19/h3-10,16,21,23H,11-15H2,1-2H3
InChIKeyJGESAIKZIJITDA-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.97
Rot. Bonds5

About N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine

N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 23614405) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID23614405
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC NameN-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-16(2)24-13-11-21(12-14-24)23-15-17-3-5-18(6-4-17)19-7-9-20(22)10-8-19/h3-10,16,21,23H,11-15H2,1-2H3
InChIKeyJGESAIKZIJITDA-UHFFFAOYSA-N
XLogP4.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.97
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-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine (CID 23614405) is N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is JGESAIKZIJITDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-16(2)24-13-11-21(12-14-24)23-15-17-3-5-18(6-4-17)19-7-9-20(22)10-8-19/h3-10,16,21,23H,11-15H2,1-2H3.
What are the key properties of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine?
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 342.91 g/mol, XLogP of 4.97, 5 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-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 23614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).