3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol

C12H25NO3 — CID 115773133

IUPAC3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCC(OCCO)CC1
InChIInChI=1S/C12H25NO3/c1-12(2,10-15)9-13-5-3-11(4-6-13)16-8-7-14/h11,14-15H,3-10H2,1-2H3
InChIKeyBXQIDQMPMXABSV-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.48
Rot. Bonds6

About 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol

3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol (PubChem CID 115773133) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
PubChem CID115773133
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CN1CCC(OCCO)CC1
InChIInChI=1S/C12H25NO3/c1-12(2,10-15)9-13-5-3-11(4-6-13)16-8-7-14/h11,14-15H,3-10H2,1-2H3
InChIKeyBXQIDQMPMXABSV-UHFFFAOYSA-N
XLogP0.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxypropan-1-ol
CID 115883361
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
CID 82690867
2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
CID 82685523
2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 115771115
2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
CID 123455408
2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 106439882
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82690835
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649
3-(4-ethylpiperazin-1-yl)-2,2-dimethylpropan-1-ol
CID 62270177
2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]piperidin-4-yl]oxyethanol
CID 103366429

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol (CID 115773133) is 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol is CC(C)(CO)CN1CCC(OCCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is BXQIDQMPMXABSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2,10-15)9-13-5-3-11(4-6-13)16-8-7-14/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol?
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115773133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).