4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium

C19H22Cl2N+ — CID 7375018

IUPAC4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
SMILESClc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21Cl2N/c20-18-7-6-17(13-19(18)21)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2/p+1
InChIKeyLAPZKXYCKQBJME-UHFFFAOYSA-O
MW335.30 g/mol
LogP4.03
Rot. Bonds4

About 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium

4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium (PubChem CID 7375018) has the molecular formula C19H22Cl2N+ and a molecular weight of 335.30 g/mol. Its IUPAC name is 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
PubChem CID7375018
Molecular FormulaC19H22Cl2N+
Molecular Weight335.30 g/mol
Exact Mass334.11
IUPAC Name4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium
SMILESClc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C19H21Cl2N/c20-18-7-6-17(13-19(18)21)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2/p+1
InChIKeyLAPZKXYCKQBJME-UHFFFAOYSA-O
XLogP4.03
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-chlorophenyl)benzamide
CID 6968884
1,5-bis[(4-benzylpiperidin-1-ium-1-yl)methyl]naphthalene-2,6-diol
CID 7897158
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
1-[(3,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7324238
cyclopropylmethylbenzene;ethane;methane
CID 142248267
2-[4-[(3,4-dichlorophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol
CID 6944829
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 10848723
2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 40636152
4-benzyl-N-(3,4-dichlorophenyl)piperidine-1-carbothioamide
CID 3383275
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
N-benzyl-1-(4-benzylpiperidin-1-yl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 10298688
1-[(3,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium
CID 6940212

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium?
The IUPAC name of 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium (CID 7375018) is 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium.
What is the SMILES notation for 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium?
The canonical SMILES for 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium is Clc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1Cl.
What is the InChIKey of 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium?
The InChIKey is LAPZKXYCKQBJME-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21Cl2N/c20-18-7-6-17(13-19(18)21)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2/p+1.
What are the key properties of 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium?
4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium has a molecular weight of 335.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(3,4-dichlorophenyl)methyl]piperidin-1-ium is sourced from PubChem (CID 7375018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).