3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol

C16H26N2O2 — CID 110538204

IUPAC3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCCOc1ccc(CC2CN(C)CCC2O)cc1N
InChIInChI=1S/C16H26N2O2/c1-3-8-20-16-5-4-12(10-14(16)17)9-13-11-18(2)7-6-15(13)19/h4-5,10,13,15,19H,3,6-9,11,17H2,1-2H3
InChIKeyOJZSVDQJBDAKOW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.91
Rot. Bonds5

About 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol

3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol (PubChem CID 110538204) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
PubChem CID110538204
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
SMILESCCCOc1ccc(CC2CN(C)CCC2O)cc1N
InChIInChI=1S/C16H26N2O2/c1-3-8-20-16-5-4-12(10-14(16)17)9-13-11-18(2)7-6-15(13)19/h4-5,10,13,15,19H,3,6-9,11,17H2,1-2H3
InChIKeyOJZSVDQJBDAKOW-UHFFFAOYSA-N
XLogP1.91
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.91
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-bromo-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110536370
3-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110538251
5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
3-[(3-amino-5-methoxy-4-propoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535671
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
3-[(2-heptoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537623
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110535252
3-[(3-amino-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110539475
3-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537925
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
2-[(3-bromo-4-propoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 110535509

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The IUPAC name of 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol (CID 110538204) is 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The canonical SMILES for 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol is CCCOc1ccc(CC2CN(C)CCC2O)cc1N.
What is the InChIKey of 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
The InChIKey is OJZSVDQJBDAKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-8-20-16-5-4-12(10-14(16)17)9-13-11-18(2)7-6-15(13)19/h4-5,10,13,15,19H,3,6-9,11,17H2,1-2H3.
What are the key properties of 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol?
3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-propoxyphenyl)methyl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 110538204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).