2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline

C14H21ClN2 — CID 117117892

IUPAC2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
SMILESCN(C)c1cc(CC2CCNCC2)ccc1Cl
InChIInChI=1S/C14H21ClN2/c1-17(2)14-10-12(3-4-13(14)15)9-11-5-7-16-8-6-11/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyYEYYKWXCSHTCLQ-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline

2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline (PubChem CID 117117892) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
PubChem CID117117892
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline
SMILESCN(C)c1cc(CC2CCNCC2)ccc1Cl
InChIInChI=1S/C14H21ClN2/c1-17(2)14-10-12(3-4-13(14)15)9-11-5-7-16-8-6-11/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyYEYYKWXCSHTCLQ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-dimethyl-4-(pyrrolidin-3-ylmethyl)aniline
CID 84799410
4-[(3,4-dichlorophenyl)methyl]azepane
CID 83261164
N,N-dimethyl-4-(piperidin-4-ylmethyl)aniline
CID 15296936
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
4-[(3-chloro-4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 117456610
3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
CID 84803651
3-(azepan-4-ylmethyl)-N,N-dimethylaniline
CID 84696125
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
4-[(3-chloro-4,5-dimethylphenyl)methyl]piperidine
CID 84798985
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
4-[[3-chloro-4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine
CID 117468071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline (CID 117117892) is 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline is CN(C)c1cc(CC2CCNCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline?
The InChIKey is YEYYKWXCSHTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(2)14-10-12(3-4-13(14)15)9-11-5-7-16-8-6-11/h3-4,10-11,16H,5-9H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline?
2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline has a molecular weight of 252.79 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 117117892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).