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

C20H25ClN2 — CID 44536016

IUPACN-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-2-23-13-11-20(12-14-23)22-15-16-3-5-17(6-4-16)18-7-9-19(21)10-8-18/h3-10,20,22H,2,11-15H2,1H3
InChIKeyIDBWSKXXRLKDOQ-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.58
Rot. Bonds5

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

N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine (PubChem CID 44536016) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine
PubChem CID44536016
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC NameN-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-2-23-13-11-20(12-14-23)22-15-16-3-5-17(6-4-16)18-7-9-19(21)10-8-18/h3-10,20,22H,2,11-15H2,1H3
InChIKeyIDBWSKXXRLKDOQ-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.58
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-ethylpiperidin-4-amine?
The IUPAC name of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine (CID 44536016) is N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine is CCN1CCC(NCc2ccc(-c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine?
The InChIKey is IDBWSKXXRLKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c1-2-23-13-11-20(12-14-23)22-15-16-3-5-17(6-4-16)18-7-9-19(21)10-8-18/h3-10,20,22H,2,11-15H2,1H3.
What are the key properties of N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine?
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-ethylpiperidin-4-amine has a molecular weight of 328.89 g/mol, XLogP of 4.58, 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-ethylpiperidin-4-amine is sourced from PubChem (CID 44536016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).