N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane

C17H29ClN2O — CID 144963079

IUPACN-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
SMILESCC.CN1CCC(N(C)CCOc2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O.C2H6/c1-17-9-7-13(8-10-17)18(2)11-12-19-15-6-4-3-5-14(15)16;1-2/h3-6,13H,7-12H2,1-2H3;1-2H3
InChIKeyZNRJQBUVFMZKEZ-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane

N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane (PubChem CID 144963079) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
PubChem CID144963079
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
SMILESCC.CN1CCC(N(C)CCOc2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O.C2H6/c1-17-9-7-13(8-10-17)18(2)11-12-19-15-6-4-3-5-14(15)16;1-2/h3-6,13H,7-12H2,1-2H3;1-2H3
InChIKeyZNRJQBUVFMZKEZ-UHFFFAOYSA-N
XLogP3.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 118531540
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231269
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
[4-[2-(2,5-dichlorophenoxy)ethyl-methylamino]piperidin-1-yl]-phenylmethanone
CID 166204898
2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxy]benzonitrile
CID 43288713
1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83084968
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
CID 91831507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane (CID 144963079) is N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane is CC.CN1CCC(N(C)CCOc2ccccc2Cl)CC1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane?
The InChIKey is ZNRJQBUVFMZKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.C2H6/c1-17-9-7-13(8-10-17)18(2)11-12-19-15-6-4-3-5-14(15)16;1-2/h3-6,13H,7-12H2,1-2H3;1-2H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane?
N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane has a molecular weight of 312.88 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane is sourced from PubChem (CID 144963079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).