4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol

C16H26N2O — CID 114331379

IUPAC4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
SMILESCCN1CCC(C(C)NCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-3-18-10-8-15(9-11-18)13(2)17-12-14-4-6-16(19)7-5-14/h4-7,13,15,17,19H,3,8-12H2,1-2H3
InChIKeyUOJSIKXPRDIRPZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.60
Rot. Bonds5

About 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol

4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol (PubChem CID 114331379) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
PubChem CID114331379
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
SMILESCCN1CCC(C(C)NCc2ccc(O)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-3-18-10-8-15(9-11-18)13(2)17-12-14-4-6-16(19)7-5-14/h4-7,13,15,17,19H,3,8-12H2,1-2H3
InChIKeyUOJSIKXPRDIRPZ-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024
N-[(4-bromophenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 54937659
1-(1-ethylpiperidin-4-yl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897678
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
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-[(5-methylfuran-2-yl)methyl]ethanamine
CID 55081497
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol (CID 114331379) is 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol is CCN1CCC(C(C)NCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol?
The InChIKey is UOJSIKXPRDIRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18-10-8-15(9-11-18)13(2)17-12-14-4-6-16(19)7-5-14/h4-7,13,15,17,19H,3,8-12H2,1-2H3.
What are the key properties of 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol?
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 114331379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).