1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine

C17H28N2 — CID 43308024

IUPAC1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCCN1CCC(C(C)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-19-11-9-17(10-12-19)15(3)18-13-16-7-5-14(2)6-8-16/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyUGOAOGFQAXCALC-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine

1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 43308024) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID43308024
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCCN1CCC(C(C)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-19-11-9-17(10-12-19)15(3)18-13-16-7-5-14(2)6-8-16/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyUGOAOGFQAXCALC-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 54937659
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114331379
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
1-(1-ethylpiperidin-4-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 55081497
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897678
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315357
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine (CID 43308024) is 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine is CCN1CCC(C(C)NCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is UGOAOGFQAXCALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19-11-9-17(10-12-19)15(3)18-13-16-7-5-14(2)6-8-16/h5-8,15,17-18H,4,9-13H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine?
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43308024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).