[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol

C13H20N2O3S — CID 43133135

IUPAC[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol
SMILESNc1ccc(CS(=O)(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c14-13-3-1-12(2-4-13)10-19(17,18)15-7-5-11(9-16)6-8-15/h1-4,11,16H,5-10,14H2
InChIKeyFIRCMVVKQBRSRT-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.80
Rot. Bonds4

About [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol

[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol (PubChem CID 43133135) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol
PubChem CID43133135
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol
SMILESNc1ccc(CS(=O)(=O)N2CCC(CO)CC2)cc1
InChIInChI=1S/C13H20N2O3S/c14-13-3-1-12(2-4-13)10-19(17,18)15-7-5-11(9-16)6-8-15/h1-4,11,16H,5-10,14H2
InChIKeyFIRCMVVKQBRSRT-UHFFFAOYSA-N
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-aminophenyl)methylsulfonyl]-3-cyclopropylazetidin-3-ol
CID 107212621
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonylmethyl]aniline
CID 79166016
1-[(4-aminophenyl)methylsulfonyl]-N,N-diethylpyrrolidin-3-amine
CID 63168569
2-[1-[[4-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-3-yl]ethanol
CID 114797376
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
4-(3,6-dihydro-2H-pyridin-1-ylsulfonylmethyl)aniline
CID 114407534
1-[(4-aminophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide
CID 103194236
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
4-(1,4-oxazepan-4-ylsulfonylmethyl)aniline
CID 62987423
[1-(4-amino-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258868
[1-(5-amino-2-ethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43256754

Frequently Asked Questions

What is the IUPAC name of [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol (CID 43133135) is [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol is Nc1ccc(CS(=O)(=O)N2CCC(CO)CC2)cc1.
What is the InChIKey of [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol?
The InChIKey is FIRCMVVKQBRSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-13-3-1-12(2-4-13)10-19(17,18)15-7-5-11(9-16)6-8-15/h1-4,11,16H,5-10,14H2.
What are the key properties of [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol?
[1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-aminophenyl)methylsulfonyl]piperidin-4-yl]methanol is sourced from PubChem (CID 43133135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).