1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol

C17H28N2O2 — CID 84749929

IUPAC1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
SMILESCCCNCc1ccc(N2CCC(O)CC2)c(OCC)c1
InChIInChI=1S/C17H28N2O2/c1-3-9-18-13-14-5-6-16(17(12-14)21-4-2)19-10-7-15(20)8-11-19/h5-6,12,15,18,20H,3-4,7-11,13H2,1-2H3
InChIKeyBNQPILOSKMFMLT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.55
Rot. Bonds7

About 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol

1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol (PubChem CID 84749929) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
PubChem CID84749929
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol
SMILESCCCNCc1ccc(N2CCC(O)CC2)c(OCC)c1
InChIInChI=1S/C17H28N2O2/c1-3-9-18-13-14-5-6-16(17(12-14)21-4-2)19-10-7-15(20)8-11-19/h5-6,12,15,18,20H,3-4,7-11,13H2,1-2H3
InChIKeyBNQPILOSKMFMLT-UHFFFAOYSA-N
XLogP2.55
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]methylamino]acetic acid
CID 84749928
1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84754739
1-[4-[[2-(dimethylamino)ethylamino]methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84747778
3-[[4-(4-hydroxypiperidin-1-yl)-3-methoxyphenyl]methylamino]propanoic acid
CID 84754745
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
N-[[4-(4-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62121726
N-[[4-(1,4-diazepan-1-yl)-3-ethoxyphenyl]methyl]ethanamine
CID 84749782
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 84754741
1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
CID 84750679

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol (CID 84749929) is 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol is CCCNCc1ccc(N2CCC(O)CC2)c(OCC)c1.
What is the InChIKey of 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol?
The InChIKey is BNQPILOSKMFMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-9-18-13-14-5-6-16(17(12-14)21-4-2)19-10-7-15(20)8-11-19/h5-6,12,15,18,20H,3-4,7-11,13H2,1-2H3.
What are the key properties of 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol?
1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol has a molecular weight of 292.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-4-(propylaminomethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 84749929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).