3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol

C17H28N2O2 — CID 117239345

IUPAC3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
SMILESCC(C)N1CCC(C(CN)COc2cccc(O)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-13(2)19-8-6-14(7-9-19)15(11-18)12-21-17-5-3-4-16(20)10-17/h3-5,10,13-15,20H,6-9,11-12,18H2,1-2H3
InChIKeyOMPGXMDXYTVVBN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds6

About 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol

3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol (PubChem CID 117239345) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol.

Molecular Properties

Compound Name3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
PubChem CID117239345
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
SMILESCC(C)N1CCC(C(CN)COc2cccc(O)c2)CC1
InChIInChI=1S/C17H28N2O2/c1-13(2)19-8-6-14(7-9-19)15(11-18)12-21-17-5-3-4-16(20)10-17/h3-5,10,13-15,20H,6-9,11-12,18H2,1-2H3
InChIKeyOMPGXMDXYTVVBN-UHFFFAOYSA-N
XLogP2.47
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-phenoxy-2-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 117239247
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
3-(3-methylphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237898
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
3-(3-chlorophenoxy)-2-(1-ethylpyrrolidin-3-yl)propan-1-amine
CID 117237900
4-[2-amino-2-(1-propan-2-ylpyrrolidin-3-yl)ethoxy]phenol
CID 117237493
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371
3-[2-(1,1-dioxothian-4-yl)-3-hydroxypropoxy]phenol
CID 117239292

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol?
The IUPAC name of 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol (CID 117239345) is 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol.
What is the SMILES notation for 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol?
The canonical SMILES for 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol is CC(C)N1CCC(C(CN)COc2cccc(O)c2)CC1.
What is the InChIKey of 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol?
The InChIKey is OMPGXMDXYTVVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)19-8-6-14(7-9-19)15(11-18)12-21-17-5-3-4-16(20)10-17/h3-5,10,13-15,20H,6-9,11-12,18H2,1-2H3.
What are the key properties of 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol?
3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol has a molecular weight of 292.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol is sourced from PubChem (CID 117239345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).