2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile

C15H20N2O — CID 53193302

IUPAC2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
SMILESCC(O)C1CCN(Cc2ccccc2C#N)CC1
InChIInChI=1S/C15H20N2O/c1-12(18)13-6-8-17(9-7-13)11-15-5-3-2-4-14(15)10-16/h2-5,12-13,18H,6-9,11H2,1H3
InChIKeyBHRSGQFSQOYBID-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.15
Rot. Bonds3

About 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile

2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 53193302) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
PubChem CID53193302
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
SMILESCC(O)C1CCN(Cc2ccccc2C#N)CC1
InChIInChI=1S/C15H20N2O/c1-12(18)13-6-8-17(9-7-13)11-15-5-3-2-4-14(15)10-16/h2-5,12-13,18H,6-9,11H2,1H3
InChIKeyBHRSGQFSQOYBID-UHFFFAOYSA-N
XLogP2.15
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
1-Benzyl-4-hydroxypiperidine-4-carbonitrile
CID 80189
(1-Benzylpiperidin-4-yl)methanol
CID 736802
2-[4-(Cyclopropylmethyl)-1-(2-methylbenzyl)-2-piperazinyl]ethanol
CID 23723706
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
1-Benzyl-2,5-dimethylpiperidin-4-ol
CID 3104852
1-{[2-(Aminomethyl)phenyl]methyl}piperidin-4-ol
CID 16786116
2-[(4-Hydroxypiperidin-1-yl)methyl]benzonitrile
CID 24690627
(S)-1-Benzyl-3-hydroxypiperidine
CID 693762
1-{[4-(Propan-2-yl)phenyl]methyl}piperidin-4-ol
CID 764714
(3R,4R)-1-Benzyl-3-hydroxy-piperidine-4-carbonitrile
CID 74321265
1-Benzyl-2-methylpiperidin-3-ol
CID 83848242

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile (CID 53193302) is 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile is CC(O)C1CCN(Cc2ccccc2C#N)CC1.
What is the InChIKey of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is BHRSGQFSQOYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(18)13-6-8-17(9-7-13)11-15-5-3-2-4-14(15)10-16/h2-5,12-13,18H,6-9,11H2,1H3.
What are the key properties of 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile?
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 53193302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).