(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol

C18H28N2O — CID 63370963

IUPAC(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H28N2O/c1-15(21)17-7-3-4-8-18(17)20-13-9-16(10-14-20)19-11-5-2-6-12-19/h3-4,7-8,15-16,21H,2,5-6,9-14H2,1H3/t15-/m0/s1
InChIKeyOHWPBJJXHVBJGE-HNNXBMFYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds3

About (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol

(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol (PubChem CID 63370963) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol
PubChem CID63370963
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H28N2O/c1-15(21)17-7-3-4-8-18(17)20-13-9-16(10-14-20)19-11-5-2-6-12-19/h3-4,7-8,15-16,21H,2,5-6,9-14H2,1H3/t15-/m0/s1
InChIKeyOHWPBJJXHVBJGE-HNNXBMFYSA-N
XLogP3.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
CID 63170127
(1R)-1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanol
CID 78941146
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939148
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
CID 63372106
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
(1R)-1-(2-thiomorpholin-4-ylphenyl)ethanol
CID 78939439
1-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79931487
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol (CID 63370963) is (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol is C[C@H](O)c1ccccc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is OHWPBJJXHVBJGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(21)17-7-3-4-8-18(17)20-13-9-16(10-14-20)19-11-5-2-6-12-19/h3-4,7-8,15-16,21H,2,5-6,9-14H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol?
(1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 288.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63370963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).