2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol

C15H24N2O2 — CID 61171148

IUPAC2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
SMILESCCN1CCCC(NCc2cc(OC)ccc2O)C1
InChIInChI=1S/C15H24N2O2/c1-3-17-8-4-5-13(11-17)16-10-12-9-14(19-2)6-7-15(12)18/h6-7,9,13,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyYNBDNHMSUQQGCQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

About 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol

2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol (PubChem CID 61171148) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
PubChem CID61171148
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
SMILESCCN1CCCC(NCc2cc(OC)ccc2O)C1
InChIInChI=1S/C15H24N2O2/c1-3-17-8-4-5-13(11-17)16-10-12-9-14(19-2)6-7-15(12)18/h6-7,9,13,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyYNBDNHMSUQQGCQ-UHFFFAOYSA-N
XLogP1.97
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
3-chloro-2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenol
CID 78959324
2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-fluorophenol
CID 112606644
2-[(cyclooctylamino)methyl]-4-(2,5-dimethoxyphenyl)phenol
CID 45488585
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol (CID 61171148) is 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol is CCN1CCCC(NCc2cc(OC)ccc2O)C1.
What is the InChIKey of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol?
The InChIKey is YNBDNHMSUQQGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17-8-4-5-13(11-17)16-10-12-9-14(19-2)6-7-15(12)18/h6-7,9,13,16,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol?
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol has a molecular weight of 264.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 61171148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).