(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol

C12H25NO2 — CID 95634837

IUPAC(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
SMILESCCOCCN1CCCC[C@@H]1[C@@H](O)CC
InChIInChI=1S/C12H25NO2/c1-3-12(14)11-7-5-6-8-13(11)9-10-15-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyZHHJFRXPADBSCU-NEPJUHHUSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds6

About (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol

(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol (PubChem CID 95634837) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
PubChem CID95634837
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
SMILESCCOCCN1CCCC[C@@H]1[C@@H](O)CC
InChIInChI=1S/C12H25NO2/c1-3-12(14)11-7-5-6-8-13(11)9-10-15-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyZHHJFRXPADBSCU-NEPJUHHUSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol 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

propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate
CID 111488180
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
butyl 2-[2-(1-hydroxypropyl)piperidin-1-yl]acetate
CID 111462660
4-[2-[2-(1-hydroxypropyl)piperidin-1-yl]ethoxy]-3-methoxybenzonitrile
CID 111448288
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
CID 98759209
N-cyclohexyl-2-[2-(1-hydroxypropyl)piperidin-1-yl]acetamide
CID 111333494
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]propan-1-ol
CID 111333426
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol (CID 95634837) is (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol is CCOCCN1CCCC[C@@H]1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol?
The InChIKey is ZHHJFRXPADBSCU-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(14)11-7-5-6-8-13(11)9-10-15-4-2/h11-12,14H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol?
(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 95634837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).