1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol

C15H23NO2 — CID 51086648

IUPAC1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESCC(C)Oc1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)18-15-5-3-4-13(10-15)11-16-8-6-14(17)7-9-16/h3-5,10,12,14,17H,6-9,11H2,1-2H3
InChIKeyMHSXBGARZDZHAY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds4

About 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol

1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol (PubChem CID 51086648) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
PubChem CID51086648
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESCC(C)Oc1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)18-15-5-3-4-13(10-15)11-16-8-6-14(17)7-9-16/h3-5,10,12,14,17H,6-9,11H2,1-2H3
InChIKeyMHSXBGARZDZHAY-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
1-[(4-methylphenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53284738
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
(3aR,6aS)-5-[(3-propan-2-yloxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660913

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol (CID 51086648) is 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol is CC(C)Oc1cccc(CN2CCC(O)CC2)c1.
What is the InChIKey of 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
The InChIKey is MHSXBGARZDZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)18-15-5-3-4-13(10-15)11-16-8-6-14(17)7-9-16/h3-5,10,12,14,17H,6-9,11H2,1-2H3.
What are the key properties of 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol?
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 51086648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).