N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine

C21H27ClN2 — CID 2846340

IUPACN-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-2-14-24-15-12-20(13-16-24)23-21(17-6-4-3-5-7-17)18-8-10-19(22)11-9-18/h3-11,20-21,23H,2,12-16H2,1H3
InChIKeyDVFSEDVUZVDLNY-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.89
Rot. Bonds6

About N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine

N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine (PubChem CID 2846340) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine
PubChem CID2846340
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H27ClN2/c1-2-14-24-15-12-20(13-16-24)23-21(17-6-4-3-5-7-17)18-8-10-19(22)11-9-18/h3-11,20-21,23H,2,12-16H2,1H3
InChIKeyDVFSEDVUZVDLNY-UHFFFAOYSA-N
XLogP4.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Clobenzorex
CID 735998
4-chloro-N-cyclopentylbenzylamine
CID 834083
Benzhydrylpiperazine
CID 70048
Meclozine Dihydrochloride
CID 64713
Meclizine Monohydrochloride
CID 92303
Meclizine Hydrochloride
CID 173612
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine (CID 2846340) is N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine?
The InChIKey is DVFSEDVUZVDLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-2-14-24-15-12-20(13-16-24)23-21(17-6-4-3-5-7-17)18-8-10-19(22)11-9-18/h3-11,20-21,23H,2,12-16H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine?
N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine has a molecular weight of 342.91 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 2846340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).