2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

C14H21ClN2 — CID 62654344

IUPAC2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCc1ccc(NCC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-3-4-14(13(15)9-11)16-10-12-5-7-17(2)8-6-12/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyNPTYRZIEIBOSIW-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.40
Rot. Bonds3

About 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 62654344) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID62654344
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCc1ccc(NCC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-3-4-14(13(15)9-11)16-10-12-5-7-17(2)8-6-12/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyNPTYRZIEIBOSIW-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 62654344) is 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is Cc1ccc(NCC2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is NPTYRZIEIBOSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-3-4-14(13(15)9-11)16-10-12-5-7-17(2)8-6-12/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 62654344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).