(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile

C8H14N2O — CID 167308554

IUPAC(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile
SMILESCCN1C[C@H](O)C[C@H](C#N)C1
InChIInChI=1S/C8H14N2O/c1-2-10-5-7(4-9)3-8(11)6-10/h7-8,11H,2-3,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyKENNGYHSXKIUTB-HTQZYQBOSA-N
MW154.21 g/mol
LogP0.21
Rot. Bonds1

About (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile

(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile (PubChem CID 167308554) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile
PubChem CID167308554
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile
SMILESCCN1C[C@H](O)C[C@H](C#N)C1
InChIInChI=1S/C8H14N2O/c1-2-10-5-7(4-9)3-8(11)6-10/h7-8,11H,2-3,5-6H2,1H3/t7-,8-/m1/s1
InChIKeyKENNGYHSXKIUTB-HTQZYQBOSA-N
XLogP0.21
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(3S,4R)-1-ethyl-4-hydroxypyrrolidine-3-carbonitrile
CID 118913281
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
CID 166536916
1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile
CID 126987866
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130987265
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 69087847
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
5-ethyl-1-propan-2-ylpyrrolidine-3-carbonitrile
CID 83845917

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile?
The IUPAC name of (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile (CID 167308554) is (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile.
What is the SMILES notation for (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile?
The canonical SMILES for (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile is CCN1C[C@H](O)C[C@H](C#N)C1.
What is the InChIKey of (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile?
The InChIKey is KENNGYHSXKIUTB-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-10-5-7(4-9)3-8(11)6-10/h7-8,11H,2-3,5-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile?
(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile is sourced from PubChem (CID 167308554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).