1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine

C19H22Cl2N2 — CID 17159064

IUPAC1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12,18,22H,8-11,13-14H2
InChIKeySNVYJMWDDMTGPN-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.75
Rot. Bonds5

About 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine

1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine (PubChem CID 17159064) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine
PubChem CID17159064
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12,18,22H,8-11,13-14H2
InChIKeySNVYJMWDDMTGPN-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Norchlorcyclizine
CID 9340
Chlorcyclizine Hydrochloride
CID 62413
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Clobenzorex
CID 735998
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)--hydrogen chloride (1/2)
CID 9704
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine (CID 17159064) is 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine is Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine?
The InChIKey is SNVYJMWDDMTGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12,18,22H,8-11,13-14H2.
What are the key properties of 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine?
1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine has a molecular weight of 349.31 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2,4-dichlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 17159064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).