4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol

C17H28N2O — CID 83987245

IUPAC4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
SMILESCC(C)CN1CCCCC1C(CN)c1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-19-10-4-3-5-17(19)16(11-18)14-6-8-15(20)9-7-14/h6-9,13,16-17,20H,3-5,10-12,18H2,1-2H3
InChIKeyFOFIKIKPBRGAPY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol

4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol (PubChem CID 83987245) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
PubChem CID83987245
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol
SMILESCC(C)CN1CCCCC1C(CN)c1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)12-19-10-4-3-5-17(19)16(11-18)14-6-8-15(20)9-7-14/h6-9,13,16-17,20H,3-5,10-12,18H2,1-2H3
InChIKeyFOFIKIKPBRGAPY-UHFFFAOYSA-N
XLogP2.94
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-amino-1-(1-ethylpiperidin-2-yl)ethyl]phenol
CID 83987243
2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
2-(3,4-dimethoxyphenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986310
2-(1-ethylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986506
2-[1-(2-methylpropyl)piperidin-2-yl]-2-(1,3-thiazol-2-yl)ethanamine
CID 83987819
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
2-(5-chloro-1H-indol-3-yl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83987539
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
2-(4-tert-butylphenyl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83987713
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986396
2-(1,3-benzodioxol-5-yl)-2-(1-ethylpiperidin-2-yl)ethanamine
CID 83986798
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol (CID 83987245) is 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol is CC(C)CN1CCCCC1C(CN)c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol?
The InChIKey is FOFIKIKPBRGAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)12-19-10-4-3-5-17(19)16(11-18)14-6-8-15(20)9-7-14/h6-9,13,16-17,20H,3-5,10-12,18H2,1-2H3.
What are the key properties of 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol?
4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-[1-(2-methylpropyl)piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 83987245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).