1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol

C18H29NO3 — CID 110877607

IUPAC1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
SMILESCC(C)(C)c1ccc(OCC(O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C18H29NO3/c1-18(2,3)14-6-8-17(9-7-14)22-13-16(21)12-19-10-4-5-15(20)11-19/h6-9,15-16,20-21H,4-5,10-13H2,1-3H3
InChIKeyPOOYHICZIIVIID-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.18
Rot. Bonds5

About 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol

1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol (PubChem CID 110877607) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
PubChem CID110877607
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
SMILESCC(C)(C)c1ccc(OCC(O)CN2CCCC(O)C2)cc1
InChIInChI=1S/C18H29NO3/c1-18(2,3)14-6-8-17(9-7-14)22-13-16(21)12-19-10-4-5-15(20)11-19/h6-9,15-16,20-21H,4-5,10-13H2,1-3H3
InChIKeyPOOYHICZIIVIID-UHFFFAOYSA-N
XLogP2.18
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
4-[2-hydroxy-3-(3-hydroxypiperidin-1-yl)propoxy]benzonitrile
CID 56809850
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143
(3S)-1-[3-(4-bromophenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123162
1-(4-tert-butylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415688
(2S)-1-(4-tert-butylphenoxy)-3-[3-(hydroxymethyl)azetidin-1-yl]propan-2-ol
CID 97307841
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
1-(4-tert-butylphenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921385
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 110882716
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol?
The IUPAC name of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol (CID 110877607) is 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol is CC(C)(C)c1ccc(OCC(O)CN2CCCC(O)C2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol?
The InChIKey is POOYHICZIIVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-18(2,3)14-6-8-17(9-7-14)22-13-16(21)12-19-10-4-5-15(20)11-19/h6-9,15-16,20-21H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol?
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol has a molecular weight of 307.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol is sourced from PubChem (CID 110877607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).