N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine

C28H32Cl2N2 — CID 10298688

IUPACN-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESClc1ccc(CC(CN2CCC(Cc3ccccc3)CC2)NCc2ccccc2)cc1Cl
InChIInChI=1S/C28H32Cl2N2/c29-27-12-11-25(19-28(27)30)18-26(31-20-24-9-5-2-6-10-24)21-32-15-13-23(14-16-32)17-22-7-3-1-4-8-22/h1-12,19,23,26,31H,13-18,20-21H2
InChIKeyNZLRVVWENCTVAO-UHFFFAOYSA-N
MW467.48 g/mol
LogP6.65
Rot. Bonds9

About N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine

N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine (PubChem CID 10298688) has the molecular formula C28H32Cl2N2 and a molecular weight of 467.48 g/mol. Its IUPAC name is N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine
PubChem CID10298688
Molecular FormulaC28H32Cl2N2
Molecular Weight467.48 g/mol
Exact Mass466.19
IUPAC NameN-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine
SMILESClc1ccc(CC(CN2CCC(Cc3ccccc3)CC2)NCc2ccccc2)cc1Cl
InChIInChI=1S/C28H32Cl2N2/c29-27-12-11-25(19-28(27)30)18-26(31-20-24-9-5-2-6-10-24)21-32-15-13-23(14-16-32)17-22-7-3-1-4-8-22/h1-12,19,23,26,31H,13-18,20-21H2
InChIKeyNZLRVVWENCTVAO-UHFFFAOYSA-N
XLogP6.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4-dichloroaniline;hydrochloride
CID 18538685
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
4-(4-benzylpiperidin-1-yl)-3-(methylamino)butan-1-ol
CID 64898583
4-benzyl-N-(3,4-dichlorophenyl)piperidine-1-carbothioamide
CID 3383275
5-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)-N-methylpentan-1-amine
CID 70196534
4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
CID 7375018
2-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(3,4-dichlorophenyl)piperidine;dihydrochloride
CID 67634506
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
(2S)-2-(benzylamino)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one
CID 67385330

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
The IUPAC name of N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine (CID 10298688) is N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine.
What is the SMILES notation for N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
The canonical SMILES for N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine is Clc1ccc(CC(CN2CCC(Cc3ccccc3)CC2)NCc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
The InChIKey is NZLRVVWENCTVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2/c29-27-12-11-25(19-28(27)30)18-26(31-20-24-9-5-2-6-10-24)21-32-15-13-23(14-16-32)17-22-7-3-1-4-8-22/h1-12,19,23,26,31H,13-18,20-21H2.
What are the key properties of N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine?
N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine has a molecular weight of 467.48 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 10298688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).