(3S,4S)-4-ethylpiperidin-3-ol

C7H15NO — CID 96732602

IUPAC(3S,4S)-4-ethylpiperidin-3-ol
SMILESCC[C@H]1CCNC[C@H]1O
InChIInChI=1S/C7H15NO/c1-2-6-3-4-8-5-7(6)9/h6-9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyXIEAYBQDAOIMEM-NKWVEPMBSA-N
MW129.20 g/mol
LogP0.37
Rot. Bonds1

About (3S,4S)-4-ethylpiperidin-3-ol

(3S,4S)-4-ethylpiperidin-3-ol (PubChem CID 96732602) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S,4S)-4-ethylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-ethylpiperidin-3-ol
PubChem CID96732602
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S,4S)-4-ethylpiperidin-3-ol
SMILESCC[C@H]1CCNC[C@H]1O
InChIInChI=1S/C7H15NO/c1-2-6-3-4-8-5-7(6)9/h6-9H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyXIEAYBQDAOIMEM-NKWVEPMBSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-aminopiperidin-3-ol
CID 54373786
(3R,4R)-4-aminopiperidin-3-ol;dihydrochloride
CID 154804814
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
CID 90897311
4-prop-2-enylpiperidin-3-ol
CID 89139617
4-[(4-bromophenyl)methyl]piperidin-3-ol
CID 115005416
methyl 3-(3-hydroxypiperidin-4-yl)propanoate
CID 105442552
3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
CID 141050342
3-(difluoromethyl)-4-ethylpiperidine
CID 105432137
(3R,4S)-3-ethyl-4-iodopiperidine
CID 134386985
4-ethyl-3-phenylpiperidine
CID 175022073
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethylpiperidin-3-ol?
The IUPAC name of (3S,4S)-4-ethylpiperidin-3-ol (CID 96732602) is (3S,4S)-4-ethylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-ethylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-4-ethylpiperidin-3-ol is CC[C@H]1CCNC[C@H]1O.
What is the InChIKey of (3S,4S)-4-ethylpiperidin-3-ol?
The InChIKey is XIEAYBQDAOIMEM-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-6-3-4-8-5-7(6)9/h6-9H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-4-ethylpiperidin-3-ol?
(3S,4S)-4-ethylpiperidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethylpiperidin-3-ol is sourced from PubChem (CID 96732602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).