2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol

C17H28N2O2 — CID 28657450

IUPAC2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
SMILESCCOc1cccc(CNCCCN2CCCCC2)c1O
InChIInChI=1S/C17H28N2O2/c1-2-21-16-9-6-8-15(17(16)20)14-18-10-7-13-19-11-4-3-5-12-19/h6,8-9,18,20H,2-5,7,10-14H2,1H3
InChIKeyNUFVRVJYSPVYCM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.76
Rot. Bonds8

About 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol

2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol (PubChem CID 28657450) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
PubChem CID28657450
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
SMILESCCOc1cccc(CNCCCN2CCCCC2)c1O
InChIInChI=1S/C17H28N2O2/c1-2-21-16-9-6-8-15(17(16)20)14-18-10-7-13-19-11-4-3-5-12-19/h6,8-9,18,20H,2-5,7,10-14H2,1H3
InChIKeyNUFVRVJYSPVYCM-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657313
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805
2-fluoro-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 112606300
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916438
2-ethoxy-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82980200
3-piperidin-1-yl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 28657649
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
N-[(2,3-dimethylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54941227
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethanesulfonamide
CID 43551896
N-[(2-propan-2-yloxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43225581

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol (CID 28657450) is 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol is CCOc1cccc(CNCCCN2CCCCC2)c1O.
What is the InChIKey of 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol?
The InChIKey is NUFVRVJYSPVYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-21-16-9-6-8-15(17(16)20)14-18-10-7-13-19-11-4-3-5-12-19/h6,8-9,18,20H,2-5,7,10-14H2,1H3.
What are the key properties of 2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol?
2-ethoxy-6-[(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-6-[(3-piperidin-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 28657450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).