4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride

C14H19ClN2O — CID 142630227

IUPAC4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(COCC2CCCCN2)cc1
InChIInChI=1S/C14H18N2O.ClH/c15-9-12-4-6-13(7-5-12)10-17-11-14-3-1-2-8-16-14;/h4-7,14,16H,1-3,8,10-11H2;1H
InChIKeyBMSOAZGCEZKJDU-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.64
Rot. Bonds4

About 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride

4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride (PubChem CID 142630227) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
PubChem CID142630227
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(COCC2CCCCN2)cc1
InChIInChI=1S/C14H18N2O.ClH/c15-9-12-4-6-13(7-5-12)10-17-11-14-3-1-2-8-16-14;/h4-7,14,16H,1-3,8,10-11H2;1H
InChIKeyBMSOAZGCEZKJDU-UHFFFAOYSA-N
XLogP2.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methoxyphenyl)methoxymethyl]piperidine
CID 86324715
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
2-chloro-5-[[(2S)-piperidin-2-yl]methoxymethyl]pyridine
CID 97163574
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
2-chloro-5-(pyrrolidin-2-ylmethoxymethyl)pyridine
CID 71639901
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride?
The IUPAC name of 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride (CID 142630227) is 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride.
What is the SMILES notation for 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride?
The canonical SMILES for 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(COCC2CCCCN2)cc1.
What is the InChIKey of 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride?
The InChIKey is BMSOAZGCEZKJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c15-9-12-4-6-13(7-5-12)10-17-11-14-3-1-2-8-16-14;/h4-7,14,16H,1-3,8,10-11H2;1H.
What are the key properties of 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride?
4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethoxymethyl)benzonitrile;hydrochloride is sourced from PubChem (CID 142630227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).