4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol

C19H29NO4 — CID 78836914

IUPAC4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
SMILESOc1ccc(C2CCN(CC(O)COCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4/c21-17-5-3-15(4-6-17)16-7-9-20(10-8-16)12-18(22)13-23-14-19-2-1-11-24-19/h3-6,16,18-19,21-22H,1-2,7-14H2
InChIKeyQLVSRDWRTFRNNB-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.13
Rot. Bonds7

About 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol

4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol (PubChem CID 78836914) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
PubChem CID78836914
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
SMILESOc1ccc(C2CCN(CC(O)COCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4/c21-17-5-3-15(4-6-17)16-7-9-20(10-8-16)12-18(22)13-23-14-19-2-1-11-24-19/h3-6,16,18-19,21-22H,1-2,7-14H2
InChIKeyQLVSRDWRTFRNNB-UHFFFAOYSA-N
XLogP2.13
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
1-(3-methyl-4-phenylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462786
N-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]benzamide
CID 42928020
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
(2R)-1-[4-(3-methylanilino)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 97072323
1-[(3R,5S)-3,5-dimethylazepan-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 146138021
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95156770
(2S)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propan-2-ol
CID 95292419
ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
CID 56777653
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 71892076

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
The IUPAC name of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol (CID 78836914) is 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol is Oc1ccc(C2CCN(CC(O)COCC3CCCO3)CC2)cc1.
What is the InChIKey of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
The InChIKey is QLVSRDWRTFRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c21-17-5-3-15(4-6-17)16-7-9-20(10-8-16)12-18(22)13-23-14-19-2-1-11-24-19/h3-6,16,18-19,21-22H,1-2,7-14H2.
What are the key properties of 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol?
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol has a molecular weight of 335.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol is sourced from PubChem (CID 78836914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).