3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol

C13H27NO2 — CID 103935797

IUPAC3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(C(C)O)CC1
InChIInChI=1S/C13H27NO2/c1-4-13(16,5-2)10-14-8-6-12(7-9-14)11(3)15/h11-12,15-16H,4-10H2,1-3H3
InChIKeyZMGAWVIBKKBBBP-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.63
Rot. Bonds5

About 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol

3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol (PubChem CID 103935797) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
PubChem CID103935797
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN1CCC(C(C)O)CC1
InChIInChI=1S/C13H27NO2/c1-4-13(16,5-2)10-14-8-6-12(7-9-14)11(3)15/h11-12,15-16H,4-10H2,1-3H3
InChIKeyZMGAWVIBKKBBBP-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-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

2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
CID 106837734
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol
CID 106839752
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 112628053
3-[[4-[(tert-butylamino)methyl]piperidin-1-yl]methyl]pentan-3-ol
CID 114496949
(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
CID 95111576
N-[[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]methyl]acetamide
CID 103931700
2-[1-(2-ethyl-2-hydroxybutyl)piperidin-4-yl]oxyacetic acid
CID 114494954
1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
CID 106837078

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol?
The IUPAC name of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol (CID 103935797) is 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol?
The canonical SMILES for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol is CCC(O)(CC)CN1CCC(C(C)O)CC1.
What is the InChIKey of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol?
The InChIKey is ZMGAWVIBKKBBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-13(16,5-2)10-14-8-6-12(7-9-14)11(3)15/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol?
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol has a molecular weight of 229.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 103935797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).