2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol

C17H28N2O2 — CID 82685523

IUPAC2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
SMILESCC(CN)(CN1CCC(OCCO)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(13-18,15-5-3-2-4-6-15)14-19-9-7-16(8-10-19)21-12-11-20/h2-6,16,20H,7-14,18H2,1H3
InChIKeyGKVHKKHBSWQKHZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.38
Rot. Bonds7

About 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol

2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol (PubChem CID 82685523) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
PubChem CID82685523
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol
SMILESCC(CN)(CN1CCC(OCCO)CC1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(13-18,15-5-3-2-4-6-15)14-19-9-7-16(8-10-19)21-12-11-20/h2-6,16,20H,7-14,18H2,1H3
InChIKeyGKVHKKHBSWQKHZ-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-methyl-2-phenylpropyl)pyrrolidin-3-ol
CID 55131558
2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylpropan-1-one
CID 82015374
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789630
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
3-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 103539187
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 62257885
4-(2-chloroethoxy)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 116790596
2-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 115883414
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylpropanamide;dihydrochloride
CID 120597388

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol (CID 82685523) is 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol is CC(CN)(CN1CCC(OCCO)CC1)c1ccccc1.
What is the InChIKey of 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol?
The InChIKey is GKVHKKHBSWQKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(13-18,15-5-3-2-4-6-15)14-19-9-7-16(8-10-19)21-12-11-20/h2-6,16,20H,7-14,18H2,1H3.
What are the key properties of 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol?
2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol has a molecular weight of 292.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2-methyl-2-phenylpropyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82685523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).