[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol

C15H24N2O2 — CID 80731187

IUPAC[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol
SMILESCCCOc1cc(N)cc(N2CCCC(CO)C2)c1
InChIInChI=1S/C15H24N2O2/c1-2-6-19-15-8-13(16)7-14(9-15)17-5-3-4-12(10-17)11-18/h7-9,12,18H,2-6,10-11,16H2,1H3
InChIKeyPOUVCOHQXJWOFC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.27
Rot. Bonds5

About [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol

[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol (PubChem CID 80731187) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol
PubChem CID80731187
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol
SMILESCCCOc1cc(N)cc(N2CCCC(CO)C2)c1
InChIInChI=1S/C15H24N2O2/c1-2-6-19-15-8-13(16)7-14(9-15)17-5-3-4-12(10-17)11-18/h7-9,12,18H,2-6,10-11,16H2,1H3
InChIKeyPOUVCOHQXJWOFC-UHFFFAOYSA-N
XLogP2.27
TPSA58.72 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 ≤ 52.27
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

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-propoxyaniline
CID 80725023
3-(4-methylazepan-1-yl)-5-propoxyaniline
CID 80735346
1-(3-amino-5-propoxyphenyl)pyrrolidine-3,4-diol
CID 106667631
3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
CID 102955686
3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
CID 80727202
1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 80730032
1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide
CID 80725596
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-propoxyaniline
CID 80739834
3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
CID 80731611
3-(4,4-diethylpiperidin-1-yl)-5-propoxyaniline
CID 80740038
[1-(3-nitro-5-propoxyphenyl)piperidin-3-yl]methanamine
CID 80744262
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-ethoxyaniline
CID 80735103

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol (CID 80731187) is [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol is CCCOc1cc(N)cc(N2CCCC(CO)C2)c1.
What is the InChIKey of [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol?
The InChIKey is POUVCOHQXJWOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-6-19-15-8-13(16)7-14(9-15)17-5-3-4-12(10-17)11-18/h7-9,12,18H,2-6,10-11,16H2,1H3.
What are the key properties of [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol?
[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 80731187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).