1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

C17H28ClNO2 — CID 2988766

IUPAC1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCC(COCC(O)CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H27NO2.ClH/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;1H
InChIKeyFOUUYSLPOYPPPG-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.08
Rot. Bonds7

About 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2988766) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2988766
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCC(COCC(O)CN1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C17H27NO2.ClH/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;1H
InChIKeyFOUUYSLPOYPPPG-UHFFFAOYSA-N
XLogP3.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-phenylpropoxy]-3-piperidin-1-ylpropan-2-ol
CID 7388824
(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 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 2988766) is 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is CC(COCC(O)CN1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is FOUUYSLPOYPPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.ClH/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;1H.
What are the key properties of 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2988766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).