N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine

C15H22Cl2N2 — CID 115714676

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2/c1-10-9-19(3)7-6-15(10)18-11(2)13-8-12(16)4-5-14(13)17/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3
InChIKeyMAIQZUKOMWVSBJ-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.98
Rot. Bonds3

About N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine

N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115714676) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115714676
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H22Cl2N2/c1-10-9-19(3)7-6-15(10)18-11(2)13-8-12(16)4-5-14(13)17/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3
InChIKeyMAIQZUKOMWVSBJ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dichlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 55193924
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
CID 115707064
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-4-methoxyphenol
CID 104582309
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
CID 104582308
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115716888

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine (CID 115714676) is N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine is CC(NC1CCN(C)CC1C)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is MAIQZUKOMWVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-10-9-19(3)7-6-15(10)18-11(2)13-8-12(16)4-5-14(13)17/h4-5,8,10-11,15,18H,6-7,9H2,1-3H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine?
N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 301.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115714676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).