4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride

C13H15Cl2FN2 — CID 155344158

IUPAC4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C13H14ClFN2.ClH/c14-11-2-1-10(12(15)7-11)8-13(9-16)3-5-17-6-4-13;/h1-2,7,17H,3-6,8H2;1H
InChIKeyTVLMKBDYGAQHQX-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.34
Rot. Bonds2

About 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride

4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride (PubChem CID 155344158) has the molecular formula C13H15Cl2FN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
PubChem CID155344158
Molecular FormulaC13H15Cl2FN2
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
SMILESCl.N#CC1(Cc2ccc(Cl)cc2F)CCNCC1
InChIInChI=1S/C13H14ClFN2.ClH/c14-11-2-1-10(12(15)7-11)8-13(9-16)3-5-17-6-4-13;/h1-2,7,17H,3-6,8H2;1H
InChIKeyTVLMKBDYGAQHQX-UHFFFAOYSA-N
XLogP3.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride (CID 155344158) is 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride is Cl.N#CC1(Cc2ccc(Cl)cc2F)CCNCC1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
The InChIKey is TVLMKBDYGAQHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2.ClH/c14-11-2-1-10(12(15)7-11)8-13(9-16)3-5-17-6-4-13;/h1-2,7,17H,3-6,8H2;1H.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride?
4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride has a molecular weight of 289.18 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 155344158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).