1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol

C17H28N2O2 — CID 82135922

IUPAC1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
SMILESCCCOc1ccc(C(O)CCN2CCCCC2)cc1N
InChIInChI=1S/C17H28N2O2/c1-2-12-21-17-7-6-14(13-15(17)18)16(20)8-11-19-9-4-3-5-10-19/h6-7,13,16,20H,2-5,8-12,18H2,1H3
InChIKeyANCZGVAJXUSSSX-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.97
Rot. Bonds7

About 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol

1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol (PubChem CID 82135922) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
PubChem CID82135922
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol
SMILESCCCOc1ccc(C(O)CCN2CCCCC2)cc1N
InChIInChI=1S/C17H28N2O2/c1-2-12-21-17-7-6-14(13-15(17)18)16(20)8-11-19-9-4-3-5-10-19/h6-7,13,16,20H,2-5,8-12,18H2,1H3
InChIKeyANCZGVAJXUSSSX-UHFFFAOYSA-N
XLogP2.97
TPSA58.72 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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-ethoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135912
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890
5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
1-(5-tert-butyl-2-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82074289
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
CID 144811393
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol (CID 82135922) is 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol is CCCOc1ccc(C(O)CCN2CCCCC2)cc1N.
What is the InChIKey of 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol?
The InChIKey is ANCZGVAJXUSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-12-21-17-7-6-14(13-15(17)18)16(20)8-11-19-9-4-3-5-10-19/h6-7,13,16,20H,2-5,8-12,18H2,1H3.
What are the key properties of 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol?
1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 82135922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).