1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine

C19H22ClNO3S — CID 110639138

IUPAC1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClNO3S/c20-18-6-8-19(9-7-18)24-14-16-10-12-21(13-11-16)25(22,23)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKeyGVBLWXBSNVNKBA-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.96
Rot. Bonds6

About 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine

1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine (PubChem CID 110639138) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
PubChem CID110639138
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClNO3S/c20-18-6-8-19(9-7-18)24-14-16-10-12-21(13-11-16)25(22,23)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKeyGVBLWXBSNVNKBA-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine
CID 110411627
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1-benzylsulfonyl-4-(2-bromoethoxy)piperidine
CID 82701182
4-[(4-chlorophenyl)methylsulfonyl]-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192180
4-[(4-chlorophenoxy)methyl]-1-(cyclopropylmethyl)piperidine
CID 10381019
2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
CID 54583088
1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 86883702
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
CID 155801188
1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine?
The IUPAC name of 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine (CID 110639138) is 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine.
What is the SMILES notation for 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine?
The canonical SMILES for 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine is O=S(=O)(Cc1ccccc1)N1CCC(COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine?
The InChIKey is GVBLWXBSNVNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c20-18-6-8-19(9-7-18)24-14-16-10-12-21(13-11-16)25(22,23)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2.
What are the key properties of 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine?
1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine has a molecular weight of 379.91 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine is sourced from PubChem (CID 110639138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).