3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline

C14H21ClN2 — CID 54807377

IUPAC3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
SMILESCc1ccc(NCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-12-5-6-13(11-14(12)15)16-7-10-17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyGVVQNZJSBFTWNY-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.55
Rot. Bonds4

About 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline

3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 54807377) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
PubChem CID54807377
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
SMILESCc1ccc(NCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H21ClN2/c1-12-5-6-13(11-14(12)15)16-7-10-17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3
InChIKeyGVVQNZJSBFTWNY-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-[2-(azepan-1-yl)ethyl]-4-methyl-3-nitroaniline
CID 62910380
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82079424
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82088072
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline (CID 54807377) is 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline is Cc1ccc(NCCN2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is GVVQNZJSBFTWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-12-5-6-13(11-14(12)15)16-7-10-17-8-3-2-4-9-17/h5-6,11,16H,2-4,7-10H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline?
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 252.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 54807377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).