1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile

C14H16Cl2N2 — CID 103993942

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2/c1-14(10-17)5-7-18(8-6-14)9-11-12(15)3-2-4-13(11)16/h2-4H,5-9H2,1H3
InChIKeyHIKQHTRVDHJHGB-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.12
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile

1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile (PubChem CID 103993942) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
PubChem CID103993942
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2/c1-14(10-17)5-7-18(8-6-14)9-11-12(15)3-2-4-13(11)16/h2-4H,5-9H2,1H3
InChIKeyHIKQHTRVDHJHGB-UHFFFAOYSA-N
XLogP4.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304191
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318678
2-[2-[(4-cyano-4-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 107160855
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
4-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-4-carbonitrile
CID 103994058
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine-4-carbonitrile
CID 103993932
4-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carbonitrile
CID 103993865
1-[(2-cyano-5-fluorophenyl)methyl]-4-methylpiperidine-4-carbonitrile
CID 103994118

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile (CID 103993942) is 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is HIKQHTRVDHJHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-14(10-17)5-7-18(8-6-14)9-11-12(15)3-2-4-13(11)16/h2-4H,5-9H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile?
1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 283.20 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 103993942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).