(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol

C17H27NO2 — CID 7388824

IUPAC(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
SMILESC[C@H](COC[C@@H](O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-15(16-8-4-2-5-9-16)13-20-14-17(19)12-18-10-6-3-7-11-18/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3/t15-,17+/m1/s1
InChIKeyXLDFOJQHGJNJKW-WBVHZDCISA-N
MW277.41 g/mol
LogP2.65
Rot. Bonds7

About (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol

(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 7388824) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID7388824
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
SMILESC[C@H](COC[C@@H](O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-15(16-8-4-2-5-9-16)13-20-14-17(19)12-18-10-6-3-7-11-18/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3/t15-,17+/m1/s1
InChIKeyXLDFOJQHGJNJKW-WBVHZDCISA-N
XLogP2.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2988766
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
1-(2,2-diphenylethoxy)-3-piperidin-1-ylpropan-2-ol
CID 43865699
(2R)-1-(2,2-diphenylethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 51975293
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2-phenylpropoxy)propan-2-ol
CID 18884586
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-(2-phenylpropoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 18884587
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol (CID 7388824) is (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol is C[C@H](COC[C@@H](O)CN1CCCCC1)c1ccccc1.
What is the InChIKey of (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is XLDFOJQHGJNJKW-WBVHZDCISA-N. The full InChI is InChI=1S/C17H27NO2/c1-15(16-8-4-2-5-9-16)13-20-14-17(19)12-18-10-6-3-7-11-18/h2,4-5,8-9,15,17,19H,3,6-7,10-14H2,1H3/t15-,17+/m1/s1.
What are the key properties of (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol?
(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 7388824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).