3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline

C13H18Cl2N2 — CID 106890070

IUPAC3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline
SMILESCCC1CCN(c2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2/c1-2-9-3-5-17(6-4-9)13-11(14)7-10(16)8-12(13)15/h7-9H,2-6,16H2,1H3
InChIKeyMSBQMMABFBFINK-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.20
Rot. Bonds2

About 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline

3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline (PubChem CID 106890070) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline
PubChem CID106890070
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline
SMILESCCC1CCN(c2c(Cl)cc(N)cc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2/c1-2-9-3-5-17(6-4-9)13-11(14)7-10(16)8-12(13)15/h7-9H,2-6,16H2,1H3
InChIKeyMSBQMMABFBFINK-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-Dichlorophenyl)piperazine
CID 2736067
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350
1-(3-Chlorophenyl)-4-(2-methylpropyl)piperazine
CID 44276538
3-Chloro-4-(4-methylpiperazin-1-yl)aniline
CID 820343
3-Chloro-4-(4-methylpiperazin-1-yl)aniline hydrochloride
CID 16195098
1,4-Benzenediamine, 2-chloro-N1,N1-dimethyl-
CID 80180
3-Chloro-4-(4-(2-chlorobenzyl)piperazin-1-yl)aniline
CID 931715
2-chloro-1-N,1-N-bis(2-chloroethyl)benzene-1,4-diamine
CID 10778263
1,4-Benzenediamine, 2-chloro-N1,N1-diethyl-, hydrochloride (1:?)
CID 112739
3-Chloro-2-(4-ethylpiperazin-1-yl)aniline
CID 952390
3-Chloro-4-(4-propylpiperazin-1-yl)aniline
CID 4770983

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline (CID 106890070) is 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline is CCC1CCN(c2c(Cl)cc(N)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline?
The InChIKey is MSBQMMABFBFINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-2-9-3-5-17(6-4-9)13-11(14)7-10(16)8-12(13)15/h7-9H,2-6,16H2,1H3.
What are the key properties of 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline?
3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline has a molecular weight of 273.21 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4-ethylpiperidin-1-yl)aniline is sourced from PubChem (CID 106890070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).