2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile

C14H18ClN3 — CID 63249694

IUPAC2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile
SMILESCNCC1CCN(c2cccc(Cl)c2C#N)CC1
InChIInChI=1S/C14H18ClN3/c1-17-10-11-5-7-18(8-6-11)14-4-2-3-13(15)12(14)9-16/h2-4,11,17H,5-8,10H2,1H3
InChIKeyXQDVOVHXCLISGC-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile

2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile (PubChem CID 63249694) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile
PubChem CID63249694
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile
SMILESCNCC1CCN(c2cccc(Cl)c2C#N)CC1
InChIInChI=1S/C14H18ClN3/c1-17-10-11-5-7-18(8-6-11)14-4-2-3-13(15)12(14)9-16/h2-4,11,17H,5-8,10H2,1H3
InChIKeyXQDVOVHXCLISGC-UHFFFAOYSA-N
XLogP2.65
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzonitrile
CID 62497841
2-chloro-6-[3-(methylamino)piperidin-1-yl]benzonitrile
CID 62547970
2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile
CID 81459606
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 60677826
2-chloro-6-(4-phenylpiperazin-1-yl)benzonitrile
CID 60673959
[1-(3-chloro-2-cyanophenyl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66881114
1-(3-chloro-2-cyanophenyl)-N-[(Z)-hydroxyiminomethyl]piperidine-4-carboxamide
CID 136732416
1-(3-chloro-2-cyanophenyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427570
2-chloro-6-(1,4-thiazepan-4-yl)benzonitrile
CID 62496053
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
2-(4-ethylpiperidin-1-yl)-6-methylsulfanylbenzonitrile
CID 113385525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The IUPAC name of 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile (CID 63249694) is 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile is CNCC1CCN(c2cccc(Cl)c2C#N)CC1.
What is the InChIKey of 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile?
The InChIKey is XQDVOVHXCLISGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-17-10-11-5-7-18(8-6-11)14-4-2-3-13(15)12(14)9-16/h2-4,11,17H,5-8,10H2,1H3.
What are the key properties of 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile?
2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile has a molecular weight of 263.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(methylaminomethyl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 63249694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).