[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine

C14H21ClN2 — CID 55134862

IUPAC[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CCN(c2cccc(Cl)c2CN)C(C)C1
InChIInChI=1S/C14H21ClN2/c1-10-6-7-17(11(2)8-10)14-5-3-4-13(15)12(14)9-16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyGYVUHIBHSBDGNZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.42
Rot. Bonds2

About [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine

[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine (PubChem CID 55134862) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
PubChem CID55134862
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1CCN(c2cccc(Cl)c2CN)C(C)C1
InChIInChI=1S/C14H21ClN2/c1-10-6-7-17(11(2)8-10)14-5-3-4-13(15)12(14)9-16/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyGYVUHIBHSBDGNZ-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine (CID 55134862) is [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine is CC1CCN(c2cccc(Cl)c2CN)C(C)C1.
What is the InChIKey of [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is GYVUHIBHSBDGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10-6-7-17(11(2)8-10)14-5-3-4-13(15)12(14)9-16/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine?
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 252.79 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 55134862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).