2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol

C17H28N2O2 — CID 28657313

IUPAC2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
SMILESCCOc1cc(CNCCCN2CCCCC2)ccc1O
InChIInChI=1S/C17H28N2O2/c1-2-21-17-13-15(7-8-16(17)20)14-18-9-6-12-19-10-4-3-5-11-19/h7-8,13,18,20H,2-6,9-12,14H2,1H3
InChIKeyZYPVBOBKJODIAZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.76
Rot. Bonds8

About 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol

2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol (PubChem CID 28657313) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
PubChem CID28657313
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
SMILESCCOc1cc(CNCCCN2CCCCC2)ccc1O
InChIInChI=1S/C17H28N2O2/c1-2-21-17-13-15(7-8-16(17)20)14-18-9-6-12-19-10-4-3-5-11-19/h7-8,13,18,20H,2-6,9-12,14H2,1H3
InChIKeyZYPVBOBKJODIAZ-UHFFFAOYSA-N
XLogP2.76
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28657716
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
1-[3-(azepan-1-yl)propyl]-2-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-ethylguanidine
CID 111325016
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol
CID 28832019
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
4-[[3-(4-benzylpiperazin-1-yl)propylamino]methyl]-2-methoxyphenol
CID 118727082
6-[(3-ethoxy-4-hydroxyphenyl)methylamino]hexanoic acid
CID 82364313
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
4-methyl-2-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 55203597
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol (CID 28657313) is 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol is CCOc1cc(CNCCCN2CCCCC2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The InChIKey is ZYPVBOBKJODIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-21-17-13-15(7-8-16(17)20)14-18-9-6-12-19-10-4-3-5-11-19/h7-8,13,18,20H,2-6,9-12,14H2,1H3.
What are the key properties of 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol?
2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 28657313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).