(3S)-3-ethyl-1-methylpiperidin-3-ol

C8H17NO — CID 177186761

IUPAC(3S)-3-ethyl-1-methylpiperidin-3-ol
SMILESCC[C@]1(O)CCCN(C)C1
InChIInChI=1S/C8H17NO/c1-3-8(10)5-4-6-9(2)7-8/h10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyVATSYBFTIWMZJM-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds1

About (3S)-3-ethyl-1-methylpiperidin-3-ol

(3S)-3-ethyl-1-methylpiperidin-3-ol (PubChem CID 177186761) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-3-ethyl-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-ethyl-1-methylpiperidin-3-ol
PubChem CID177186761
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-3-ethyl-1-methylpiperidin-3-ol
SMILESCC[C@]1(O)CCCN(C)C1
InChIInChI=1S/C8H17NO/c1-3-8(10)5-4-6-9(2)7-8/h10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyVATSYBFTIWMZJM-QMMMGPOBSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
3-(ethylamino)-1-methylpiperidin-3-ol
CID 70384279
(3S)-3-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpiperidin-3-ol
CID 124871164
3-(3-ethyl-3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 167858409
3-(azetidin-1-ylmethyl)-1-methylpyrrolidin-3-ol
CID 84731876
3-butyl-1-methylpyrrolidin-3-ol
CID 65146565
1,3-diethylpyrrolidin-3-ol
CID 67586028
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-methylpiperidin-3-ol?
The IUPAC name of (3S)-3-ethyl-1-methylpiperidin-3-ol (CID 177186761) is (3S)-3-ethyl-1-methylpiperidin-3-ol.
What is the SMILES notation for (3S)-3-ethyl-1-methylpiperidin-3-ol?
The canonical SMILES for (3S)-3-ethyl-1-methylpiperidin-3-ol is CC[C@]1(O)CCCN(C)C1.
What is the InChIKey of (3S)-3-ethyl-1-methylpiperidin-3-ol?
The InChIKey is VATSYBFTIWMZJM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(10)5-4-6-9(2)7-8/h10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-ethyl-1-methylpiperidin-3-ol?
(3S)-3-ethyl-1-methylpiperidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-methylpiperidin-3-ol is sourced from PubChem (CID 177186761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).