2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride

C13H21Cl3N2 — CID 155976846

IUPAC2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
SMILESCN(C)c1cc(C2CCCCN2)ccc1Cl.Cl.Cl
InChIInChI=1S/C13H19ClN2.2ClH/c1-16(2)13-9-10(6-7-11(13)14)12-5-3-4-8-15-12;;/h6-7,9,12,15H,3-5,8H2,1-2H3;2*1H
InChIKeyJWZLVDCNEXNSMW-UHFFFAOYSA-N
MW311.68 g/mol
LogP4.06
Rot. Bonds2

About 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride

2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride (PubChem CID 155976846) has the molecular formula C13H21Cl3N2 and a molecular weight of 311.68 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
PubChem CID155976846
Molecular FormulaC13H21Cl3N2
Molecular Weight311.68 g/mol
Exact Mass310.08
IUPAC Name2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
SMILESCN(C)c1cc(C2CCCCN2)ccc1Cl.Cl.Cl
InChIInChI=1S/C13H19ClN2.2ClH/c1-16(2)13-9-10(6-7-11(13)14)12-5-3-4-8-15-12;;/h6-7,9,12,15H,3-5,8H2,1-2H3;2*1H
InChIKeyJWZLVDCNEXNSMW-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-5-pyrrolidin-2-ylaniline
CID 117116788
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
2,3-difluoro-N,N-dimethyl-5-piperidin-2-ylaniline
CID 117116358
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride?
The IUPAC name of 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride (CID 155976846) is 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride is CN(C)c1cc(C2CCCCN2)ccc1Cl.Cl.Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride?
The InChIKey is JWZLVDCNEXNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2.2ClH/c1-16(2)13-9-10(6-7-11(13)14)12-5-3-4-8-15-12;;/h6-7,9,12,15H,3-5,8H2,1-2H3;2*1H.
What are the key properties of 2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride?
2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride has a molecular weight of 311.68 g/mol, XLogP of 4.06, 2 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-2-ylaniline;dihydrochloride is sourced from PubChem (CID 155976846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).