(2S,3S)-2-butylpiperidin-3-ol

C9H19NO — CID 102039830

IUPAC(2S,3S)-2-butylpiperidin-3-ol
SMILESCCCC[C@@H]1NCCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-2-3-5-8-9(11)6-4-7-10-8/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyZVIVMDJWTFKKOZ-IUCAKERBSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds3

About (2S,3S)-2-butylpiperidin-3-ol

(2S,3S)-2-butylpiperidin-3-ol (PubChem CID 102039830) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,3S)-2-butylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-butylpiperidin-3-ol
PubChem CID102039830
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,3S)-2-butylpiperidin-3-ol
SMILESCCCC[C@@H]1NCCC[C@@H]1O
InChIInChI=1S/C9H19NO/c1-2-3-5-8-9(11)6-4-7-10-8/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyZVIVMDJWTFKKOZ-IUCAKERBSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxypropyl)piperidin-3-ol
CID 67216192
2-ethylpiperidin-3-ol;hydrochloride
CID 115013101
2-heptyl-3-(trifluoromethyl)piperidine
CID 106778365
1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
CID 130847336
(2S,3S)-2-(2-phenylethyl)piperidin-3-ol
CID 124505625
(2S,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287221
3-(3-methylpiperidin-2-yl)propan-1-ol
CID 78065811
(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
CID 131020224
3-(3-methylpiperidin-2-yl)propan-1-ol;hydrochloride
CID 90668992
2,3-dipropylpiperidine;ethane
CID 168977682
(2S)-2-hexylpyrrolidine
CID 7047826
N,N-dibutyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147528

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-butylpiperidin-3-ol?
The IUPAC name of (2S,3S)-2-butylpiperidin-3-ol (CID 102039830) is (2S,3S)-2-butylpiperidin-3-ol.
What is the SMILES notation for (2S,3S)-2-butylpiperidin-3-ol?
The canonical SMILES for (2S,3S)-2-butylpiperidin-3-ol is CCCC[C@@H]1NCCC[C@@H]1O.
What is the InChIKey of (2S,3S)-2-butylpiperidin-3-ol?
The InChIKey is ZVIVMDJWTFKKOZ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-3-5-8-9(11)6-4-7-10-8/h8-11H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2-butylpiperidin-3-ol?
(2S,3S)-2-butylpiperidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-butylpiperidin-3-ol is sourced from PubChem (CID 102039830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).