4-[[ethyl(piperidin-3-yl)amino]methyl]phenol

C14H22N2O — CID 63643977

IUPAC4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C1CCCNC1
InChIInChI=1S/C14H22N2O/c1-2-16(13-4-3-9-15-10-13)11-12-5-7-14(17)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyVTRSKIDQGGYWKI-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.97
Rot. Bonds4

About 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol

4-[[ethyl(piperidin-3-yl)amino]methyl]phenol (PubChem CID 63643977) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
PubChem CID63643977
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)C1CCCNC1
InChIInChI=1S/C14H22N2O/c1-2-16(13-4-3-9-15-10-13)11-12-5-7-14(17)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3
InChIKeyVTRSKIDQGGYWKI-UHFFFAOYSA-N
XLogP1.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
N-ethyl-N-[(3,4,5-trifluorophenyl)methyl]piperidin-3-amine
CID 63636373
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
CID 63638010
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
CID 63636262
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755
6-[[ethyl(piperidin-3-yl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 63637130
4-[1-[ethyl(piperidin-3-yl)amino]propyl]phenol
CID 63643806

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol?
The IUPAC name of 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol (CID 63643977) is 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol is CCN(Cc1ccc(O)cc1)C1CCCNC1.
What is the InChIKey of 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol?
The InChIKey is VTRSKIDQGGYWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-16(13-4-3-9-15-10-13)11-12-5-7-14(17)8-6-12/h5-8,13,15,17H,2-4,9-11H2,1H3.
What are the key properties of 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol?
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(piperidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 63643977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).