N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine

C17H27ClN2 — CID 114851009

IUPACN-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCC(C)(CC)CC1
InChIInChI=1S/C17H27ClN2/c1-4-17(3)8-10-20(11-9-17)16-12-15(18)7-6-14(16)13-19-5-2/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyFOZDHUOXCLUFGY-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.47
Rot. Bonds5

About N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine

N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 114851009) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID114851009
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1N1CCC(C)(CC)CC1
InChIInChI=1S/C17H27ClN2/c1-4-17(3)8-10-20(11-9-17)16-12-15(18)7-6-14(16)13-19-5-2/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyFOZDHUOXCLUFGY-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
N-[[5-chloro-2-(4,4-diethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114851025
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
2-[4-[5-chloro-2-(ethylaminomethyl)phenyl]piperazin-1-yl]ethanol
CID 114848526
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 114850847
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 114849159
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63551607
N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
CID 114847408

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 114851009) is N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1N1CCC(C)(CC)CC1.
What is the InChIKey of N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is FOZDHUOXCLUFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-17(3)8-10-20(11-9-17)16-12-15(18)7-6-14(16)13-19-5-2/h6-7,12,19H,4-5,8-11,13H2,1-3H3.
What are the key properties of N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 294.87 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 114851009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).