4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol

C13H27NO2 — CID 114338264

IUPAC4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(O)CC1CCCCN1CCC(C)(C)O
InChIInChI=1S/C13H27NO2/c1-11(15)10-12-6-4-5-8-14(12)9-7-13(2,3)16/h11-12,15-16H,4-10H2,1-3H3
InChIKeyQZRLVMSSSJDBNJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.77
Rot. Bonds5

About 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol

4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 114338264) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID114338264
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(O)CC1CCCCN1CCC(C)(C)O
InChIInChI=1S/C13H27NO2/c1-11(15)10-12-6-4-5-8-14(12)9-7-13(2,3)16/h11-12,15-16H,4-10H2,1-3H3
InChIKeyQZRLVMSSSJDBNJ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxypropyl)azepan-1-yl]-2-methylpropan-2-ol
CID 114338998
2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
CID 79355209
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
1-[1-(2-cyclopropylethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758812
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
1-(1-pent-4-enylpiperidin-2-yl)propan-2-ol
CID 114338062
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
2-methyl-4-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-2-ol
CID 115316873
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol (CID 114338264) is 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol is CC(O)CC1CCCCN1CCC(C)(C)O.
What is the InChIKey of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is QZRLVMSSSJDBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(15)10-12-6-4-5-8-14(12)9-7-13(2,3)16/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol?
4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114338264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).