[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol

C20H28N2O4S — CID 137335716

IUPAC[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol
SMILESCOc1ccc2cc(S(=O)(=O)N3CCC(CO)(CN(C)C)CC3)ccc2c1
InChIInChI=1S/C20H28N2O4S/c1-21(2)14-20(15-23)8-10-22(11-9-20)27(24,25)19-7-5-16-12-18(26-3)6-4-17(16)13-19/h4-7,12-13,23H,8-11,14-15H2,1-3H3
InChIKeyKJJNWRGZVQTKGQ-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.17
Rot. Bonds6

About [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol

[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol (PubChem CID 137335716) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol
PubChem CID137335716
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol
SMILESCOc1ccc2cc(S(=O)(=O)N3CCC(CO)(CN(C)C)CC3)ccc2c1
InChIInChI=1S/C20H28N2O4S/c1-21(2)14-20(15-23)8-10-22(11-9-20)27(24,25)19-7-5-16-12-18(26-3)6-4-17(16)13-19/h4-7,12-13,23H,8-11,14-15H2,1-3H3
InChIKeyKJJNWRGZVQTKGQ-UHFFFAOYSA-N
XLogP2.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
CID 137339136
[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137334939
[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137336937
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
2-[4-[(dimethylamino)methyl]-4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 137340198
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
4-[4-(4-methoxyphenyl)-3-methylphenyl]sulfonyl-N,N-dimethylpiperazine-1-carboxamide
CID 171907305
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072046

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol (CID 137335716) is [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol is COc1ccc2cc(S(=O)(=O)N3CCC(CO)(CN(C)C)CC3)ccc2c1.
What is the InChIKey of [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is KJJNWRGZVQTKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-21(2)14-20(15-23)8-10-22(11-9-20)27(24,25)19-7-5-16-12-18(26-3)6-4-17(16)13-19/h4-7,12-13,23H,8-11,14-15H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol?
[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 392.52 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 137335716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).