2-piperidin-3-ylbutan-2-ol

C9H19NO — CID 63586087

IUPAC2-piperidin-3-ylbutan-2-ol
SMILESCCC(C)(O)C1CCCNC1
InChIInChI=1S/C9H19NO/c1-3-9(2,11)8-5-4-6-10-7-8/h8,10-11H,3-7H2,1-2H3
InChIKeyAPYBXIAWLJUYNN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds2

About 2-piperidin-3-ylbutan-2-ol

2-piperidin-3-ylbutan-2-ol (PubChem CID 63586087) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-piperidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-piperidin-3-ylbutan-2-ol
PubChem CID63586087
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-piperidin-3-ylbutan-2-ol
SMILESCCC(C)(O)C1CCCNC1
InChIInChI=1S/C9H19NO/c1-3-9(2,11)8-5-4-6-10-7-8/h8,10-11H,3-7H2,1-2H3
InChIKeyAPYBXIAWLJUYNN-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
2-piperidin-3-ylpentan-2-ol
CID 63586269
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
5,5-dimethyl-2-piperidin-3-ylhexan-2-ol
CID 65146059
2-piperidin-3-yloctan-2-ol
CID 65146111
2-cyclohexylbutan-2-ol
CID 14023764
(3R)-3-tert-butylpiperidine
CID 59772800
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol
CID 79135325
3-methyl-2-piperidin-3-ylhexan-2-ol
CID 107892565

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylbutan-2-ol?
The IUPAC name of 2-piperidin-3-ylbutan-2-ol (CID 63586087) is 2-piperidin-3-ylbutan-2-ol.
What is the SMILES notation for 2-piperidin-3-ylbutan-2-ol?
The canonical SMILES for 2-piperidin-3-ylbutan-2-ol is CCC(C)(O)C1CCCNC1.
What is the InChIKey of 2-piperidin-3-ylbutan-2-ol?
The InChIKey is APYBXIAWLJUYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(2,11)8-5-4-6-10-7-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-piperidin-3-ylbutan-2-ol?
2-piperidin-3-ylbutan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylbutan-2-ol is sourced from PubChem (CID 63586087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).