1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine

C16H24Cl2N2 — CID 104727298

IUPAC1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Cl)c(C)cc2Cl)CC1C
InChIInChI=1S/C16H24Cl2N2/c1-4-6-19-15-5-7-20(10-12(15)3)16-9-13(17)11(2)8-14(16)18/h8-9,12,15,19H,4-7,10H2,1-3H3
InChIKeyNRLXLQZSCXGJAZ-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.52
Rot. Bonds4

About 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine

1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine (PubChem CID 104727298) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine
PubChem CID104727298
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Cl)c(C)cc2Cl)CC1C
InChIInChI=1S/C16H24Cl2N2/c1-4-6-19-15-5-7-20(10-12(15)3)16-9-13(17)11(2)8-14(16)18/h8-9,12,15,19H,4-7,10H2,1-3H3
InChIKeyNRLXLQZSCXGJAZ-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 54975533
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 62915942
1-(3-iodophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54976134
1-(2-chlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975148
N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 104727346
3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine
CID 66349971
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-N-propylpiperidin-4-amine
CID 107463331
1-(4-bromophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975299
1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
CID 54975601
1-[2-(2-methoxyethyl)phenyl]-3-methyl-N-propylpiperidin-4-amine
CID 102906308
1-(2-chloro-5-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 107636305
1-(2,5-dichlorophenyl)-N-propylpyrrolidin-3-amine
CID 60860793

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine (CID 104727298) is 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine is CCCNC1CCN(c2cc(Cl)c(C)cc2Cl)CC1C.
What is the InChIKey of 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine?
The InChIKey is NRLXLQZSCXGJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-4-6-19-15-5-7-20(10-12(15)3)16-9-13(17)11(2)8-14(16)18/h8-9,12,15,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine?
1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine has a molecular weight of 315.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylphenyl)-3-methyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 104727298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).