(3S,5S)-1-ethyl-5-methylpiperidin-3-ol

C8H17NO — CID 1415650

IUPAC(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
SMILESCCN1C[C@@H](C)C[C@H](O)C1
InChIInChI=1S/C8H17NO/c1-3-9-5-7(2)4-8(10)6-9/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyANOMDXFRYJKQTQ-YUMQZZPRSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds1

About (3S,5S)-1-ethyl-5-methylpiperidin-3-ol

(3S,5S)-1-ethyl-5-methylpiperidin-3-ol (PubChem CID 1415650) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S,5S)-1-ethyl-5-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
PubChem CID1415650
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
SMILESCCN1C[C@@H](C)C[C@H](O)C1
InChIInChI=1S/C8H17NO/c1-3-9-5-7(2)4-8(10)6-9/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyANOMDXFRYJKQTQ-YUMQZZPRSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
1-ethyl-6-methylazepan-4-ol
CID 166157584
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
5-methyl-1-(2-methylpropyl)piperidin-3-ol
CID 128552520
acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
CID 166536916
1-(2,2-dimethyl-3-sulfanylpropyl)-5-methylpiperidin-3-ol
CID 130802828
1-(3-chloropropyl)-5-methylpiperidin-3-ol
CID 130943603
(3S,5R)-1-(3-hydroxy-3-methylbutyl)-5-methylpiperidin-3-ol
CID 130802812
5-methyl-1-(2-methyl-3-sulfanylpropyl)piperidin-3-ol
CID 130941612
(3S,5R)-5-methyl-1-[2-(sulfanylmethyl)prop-2-enyl]piperidin-3-ol
CID 130802830
1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]-3,3-dimethylbutan-2-one
CID 130856209

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-ethyl-5-methylpiperidin-3-ol?
The IUPAC name of (3S,5S)-1-ethyl-5-methylpiperidin-3-ol (CID 1415650) is (3S,5S)-1-ethyl-5-methylpiperidin-3-ol.
What is the SMILES notation for (3S,5S)-1-ethyl-5-methylpiperidin-3-ol?
The canonical SMILES for (3S,5S)-1-ethyl-5-methylpiperidin-3-ol is CCN1C[C@@H](C)C[C@H](O)C1.
What is the InChIKey of (3S,5S)-1-ethyl-5-methylpiperidin-3-ol?
The InChIKey is ANOMDXFRYJKQTQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-9-5-7(2)4-8(10)6-9/h7-8,10H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (3S,5S)-1-ethyl-5-methylpiperidin-3-ol?
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-ethyl-5-methylpiperidin-3-ol is sourced from PubChem (CID 1415650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).