2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile

C8H14N2O — CID 105430088

IUPAC2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile
SMILESCN1CCC(CC#N)C(O)C1
InChIInChI=1S/C8H14N2O/c1-10-5-3-7(2-4-9)8(11)6-10/h7-8,11H,2-3,5-6H2,1H3
InChIKeyLXSBXHHGTGEENT-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.21
Rot. Bonds1

About 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile

2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile (PubChem CID 105430088) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile
PubChem CID105430088
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile
SMILESCN1CCC(CC#N)C(O)C1
InChIInChI=1S/C8H14N2O/c1-10-5-3-7(2-4-9)8(11)6-10/h7-8,11H,2-3,5-6H2,1H3
InChIKeyLXSBXHHGTGEENT-UHFFFAOYSA-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

(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
2-(4-amino-1-methylpiperidin-3-yl)acetonitrile
CID 105429954
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
CID 89166355
2-[(3R,4S)-3-hydroxy-1-(1-phenylethyl)piperidin-4-yl]acetonitrile
CID 134280560
2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 167226625
ethane;2-(4-ethyl-3-hydroxypiperidin-1-yl)acetonitrile
CID 145337892
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
ethane;4-hydroxy-1-methylpiperidine-3-carbonitrile
CID 177033557
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile
CID 83845546
4-iodo-1-methylpiperidin-3-ol
CID 134434558
3-(1-methylpyrrolidin-3-yl)-3-oxopropanenitrile
CID 116919095

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile (CID 105430088) is 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile is CN1CCC(CC#N)C(O)C1.
What is the InChIKey of 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile?
The InChIKey is LXSBXHHGTGEENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-5-3-7(2-4-9)8(11)6-10/h7-8,11H,2-3,5-6H2,1H3.
What are the key properties of 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile?
2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile 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 2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 105430088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).