1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol

C17H28N2O2 — CID 64819801

IUPAC1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
SMILESCCCOC1CCCN(CC(O)(CN)c2ccccc2)C1
InChIInChI=1S/C17H28N2O2/c1-2-11-21-16-9-6-10-19(12-16)14-17(20,13-18)15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14,18H2,1H3
InChIKeySQNUMCLIJALLKX-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.72
Rot. Bonds7

About 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol

1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol (PubChem CID 64819801) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
PubChem CID64819801
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
SMILESCCCOC1CCCN(CC(O)(CN)c2ccccc2)C1
InChIInChI=1S/C17H28N2O2/c1-2-11-21-16-9-6-10-19(12-16)14-17(20,13-18)15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14,18H2,1H3
InChIKeySQNUMCLIJALLKX-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(3-propoxypiperidin-1-yl)propan-2-ol
CID 62375325
1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 64821785
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820712
2-methyl-1-(3-propoxypiperidin-1-yl)butan-2-ol
CID 114495488
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
CID 103540867
2-phenyl-3-(3-propoxypiperidin-1-yl)propanoic acid
CID 63075263
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
3-(3-ethoxypiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 62277790
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol (CID 64819801) is 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol is CCCOC1CCCN(CC(O)(CN)c2ccccc2)C1.
What is the InChIKey of 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol?
The InChIKey is SQNUMCLIJALLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-11-21-16-9-6-10-19(12-16)14-17(20,13-18)15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14,18H2,1H3.
What are the key properties of 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol?
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 64819801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).