[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone

C14H19NO3S — CID 107033605

IUPAC[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
SMILESO=C(c1cccc(S)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C14H19NO3S/c16-8-9-18-12-4-6-15(7-5-12)14(17)11-2-1-3-13(19)10-11/h1-3,10,12,16,19H,4-9H2
InChIKeyUGUJMVOOTYWDCB-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.59
Rot. Bonds4

About [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone

[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone (PubChem CID 107033605) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
PubChem CID107033605
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone
SMILESO=C(c1cccc(S)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C14H19NO3S/c16-8-9-18-12-4-6-15(7-5-12)14(17)11-2-1-3-13(19)10-11/h1-3,10,12,16,19H,4-9H2
InChIKeyUGUJMVOOTYWDCB-UHFFFAOYSA-N
XLogP1.59
TPSA49.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone 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

[2-(aminomethyl)-4-pyridinyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696757
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
3-[1-(3-bromobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63871391
3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63877037
[4-(2-hydroxyethoxy)piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 82691397
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
(4,4-dimethylpiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107028906
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
ethyl 4-(3-sulfanylbenzoyl)piperazine-1-carboxylate
CID 107877787

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone?
The IUPAC name of [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone (CID 107033605) is [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone.
What is the SMILES notation for [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone?
The canonical SMILES for [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone is O=C(c1cccc(S)c1)N1CCC(OCCO)CC1.
What is the InChIKey of [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone?
The InChIKey is UGUJMVOOTYWDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-8-9-18-12-4-6-15(7-5-12)14(17)11-2-1-3-13(19)10-11/h1-3,10,12,16,19H,4-9H2.
What are the key properties of [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone?
[4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone has a molecular weight of 281.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethoxy)piperidin-1-yl]-(3-sulfanylphenyl)methanone is sourced from PubChem (CID 107033605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).