1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol

C16H25NO3 — CID 111113995

IUPAC1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCC(O)C1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C16H25NO3/c1-13(18)14-7-9-17(10-8-14)11-15(19)12-20-16-5-3-2-4-6-16/h2-6,13-15,18-19H,7-12H2,1H3
InChIKeyJWMALTVDLFFPOF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.52
Rot. Bonds6

About 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol

1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 111113995) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID111113995
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCC(O)C1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C16H25NO3/c1-13(18)14-7-9-17(10-8-14)11-15(19)12-20-16-5-3-2-4-6-16/h2-6,13-15,18-19H,7-12H2,1H3
InChIKeyJWMALTVDLFFPOF-UHFFFAOYSA-N
XLogP1.52
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 138959633
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol (CID 111113995) is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol is CC(O)C1CCN(CC(O)COc2ccccc2)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is JWMALTVDLFFPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(18)14-7-9-17(10-8-14)11-15(19)12-20-16-5-3-2-4-6-16/h2-6,13-15,18-19H,7-12H2,1H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 111113995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).