2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline

C13H19ClN2 — CID 91672020

IUPAC2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline
SMILESCc1cc(N2CCCCC2)c(C)c(Cl)c1N
InChIInChI=1S/C13H19ClN2/c1-9-8-11(10(2)12(14)13(9)15)16-6-4-3-5-7-16/h8H,3-7,15H2,1-2H3
InChIKeyVDGQKCPOHAQYRC-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.53
Rot. Bonds1

About 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline

2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline (PubChem CID 91672020) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline.

Molecular Properties

Compound Name2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline
PubChem CID91672020
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline
SMILESCc1cc(N2CCCCC2)c(C)c(Cl)c1N
InChIInChI=1S/C13H19ClN2/c1-9-8-11(10(2)12(14)13(9)15)16-6-4-3-5-7-16/h8H,3-7,15H2,1-2H3
InChIKeyVDGQKCPOHAQYRC-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-Chloro-3-ethylphenyl)piperazine
CID 130431277
1-(2-Chloro-3-ethylphenyl)-4-methylpiperazine
CID 155533824
1-(3-Chloro-2-methylphenyl)piperazine hydrochloride
CID 22458474
2-chloro-3-methyl-1-N,1-N-dipropyl-5-(trifluoromethyl)benzene-1,4-diamine
CID 57072274
3-chloro-1-N-[4-(dimethylamino)phenyl]-5-fluoro-2-methylbenzene-1,4-diamine
CID 57144549
3-Chloro-2-fluoro-5-(4-methyl-piperazin-1-yl)-benzylamine
CID 68283264
1-[3-chloro-2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 130322310
1-[4-amino-2-chloro-6-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 135218445
8-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 139382796
2-chloro-1-N,1-N-diethyl-3-methyl-5-(trifluoromethyl)benzene-1,4-diamine
CID 140329425
3-Chloro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166062183
5-Chloro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166062433

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline?
The IUPAC name of 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline (CID 91672020) is 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline.
What is the SMILES notation for 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline?
The canonical SMILES for 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline is Cc1cc(N2CCCCC2)c(C)c(Cl)c1N.
What is the InChIKey of 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline?
The InChIKey is VDGQKCPOHAQYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-8-11(10(2)12(14)13(9)15)16-6-4-3-5-7-16/h8H,3-7,15H2,1-2H3.
What are the key properties of 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline?
2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline has a molecular weight of 238.76 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline is sourced from PubChem (CID 91672020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).