1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol

C16H26N2O — CID 64821785

IUPAC1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
SMILESCCC1CCCN(CC(O)(CN)c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-14-7-6-10-18(11-14)13-16(19,12-17)15-8-4-3-5-9-15/h3-5,8-9,14,19H,2,6-7,10-13,17H2,1H3
InChIKeyVOCGFRVCSXHAPJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.95
Rot. Bonds5

About 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol

1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol (PubChem CID 64821785) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
PubChem CID64821785
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
SMILESCCC1CCCN(CC(O)(CN)c2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-2-14-7-6-10-18(11-14)13-16(19,12-17)15-8-4-3-5-9-15/h3-5,8-9,14,19H,2,6-7,10-13,17H2,1H3
InChIKeyVOCGFRVCSXHAPJ-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64819801
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CID 64820712
N-ethyl-3-(3-ethylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62258575
1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
CID 103540867
1-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79935803
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
CID 116695850
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol
CID 116695944
3-ethyl-1-(2-phenylsulfanylethyl)piperidine
CID 78993201
N-[2-(3-ethylpiperidin-1-yl)ethyl]aniline
CID 60860775
1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
CID 116695777

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol (CID 64821785) is 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol is CCC1CCCN(CC(O)(CN)c2ccccc2)C1.
What is the InChIKey of 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol?
The InChIKey is VOCGFRVCSXHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-14-7-6-10-18(11-14)13-16(19,12-17)15-8-4-3-5-9-15/h3-5,8-9,14,19H,2,6-7,10-13,17H2,1H3.
What are the key properties of 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol?
1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 64821785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).