N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine

C18H30N2 — CID 63853942

IUPACN-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(Cc2ccc(CC)cc2)C1
InChIInChI=1S/C18H30N2/c1-4-16-8-10-17(11-9-16)13-20-12-6-7-18(14-20)15(3)19-5-2/h8-11,15,18-19H,4-7,12-14H2,1-3H3
InChIKeyQVJJPXKDAFLBGJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine

N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine (PubChem CID 63853942) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
PubChem CID63853942
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(Cc2ccc(CC)cc2)C1
InChIInChI=1S/C18H30N2/c1-4-16-8-10-17(11-9-16)13-20-12-6-7-18(14-20)15(3)19-5-2/h8-11,15,18-19H,4-7,12-14H2,1-3H3
InChIKeyQVJJPXKDAFLBGJ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-[(4-ethylphenyl)methyl]piperidine
CID 63386785
N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-3-yl]ethanamine
CID 63854795
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 107076253
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
3-(1-benzylpiperidin-3-yl)-3-(ethylamino)propan-1-ol
CID 71635336
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907
1-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2-phenylpropan-2-ol
CID 63854628
(3S)-1-[(4-bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine
CID 6712574
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine (CID 63853942) is N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(Cc2ccc(CC)cc2)C1.
What is the InChIKey of N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is QVJJPXKDAFLBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-16-8-10-17(11-9-16)13-20-12-6-7-18(14-20)15(3)19-5-2/h8-11,15,18-19H,4-7,12-14H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine?
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63853942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).