1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol

C12H25NO2 — CID 114337983

IUPAC1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCCCC1CC(C)O
InChIInChI=1S/C12H25NO2/c1-3-12(15)9-13-7-5-4-6-11(13)8-10(2)14/h10-12,14-15H,3-9H2,1-2H3
InChIKeyPEFXRRMGEPFLMW-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol

1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol (PubChem CID 114337983) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
PubChem CID114337983
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCCCC1CC(C)O
InChIInChI=1S/C12H25NO2/c1-3-12(15)9-13-7-5-4-6-11(13)8-10(2)14/h10-12,14-15H,3-9H2,1-2H3
InChIKeyPEFXRRMGEPFLMW-UHFFFAOYSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-[2-methyl-3-(propan-2-ylamino)propyl]piperidin-2-yl]propan-2-ol
CID 112748261
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol
CID 104627949
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
1-[1-(2-bromoprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 114338272
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
1-chloro-3-(2-ethylazepan-1-yl)propan-2-ol
CID 104691333

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol?
The IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol (CID 114337983) is 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol is CCC(O)CN1CCCCC1CC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol?
The InChIKey is PEFXRRMGEPFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-12(15)9-13-7-5-4-6-11(13)8-10(2)14/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol?
1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114337983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).