1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol

C12H25NO3 — CID 115826056

IUPAC1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
SMILESCC(C)OCC(O)CN1CCC(C)(O)CC1
InChIInChI=1S/C12H25NO3/c1-10(2)16-9-11(14)8-13-6-4-12(3,15)5-7-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyRNMOVDHMMQPHES-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.62
Rot. Bonds5

About 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol

1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol (PubChem CID 115826056) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
PubChem CID115826056
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
SMILESCC(C)OCC(O)CN1CCC(C)(O)CC1
InChIInChI=1S/C12H25NO3/c1-10(2)16-9-11(14)8-13-6-4-12(3,15)5-7-13/h10-11,14-15H,4-9H2,1-3H3
InChIKeyRNMOVDHMMQPHES-UHFFFAOYSA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 78969826
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
1-(3-bromo-2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 112561820
1-[(2R)-2-hydroxy-3-phenoxypropyl]-4-methylpiperidin-4-ol
CID 59079798
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1-(2,2-dimethylpyrrolidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63222062
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
1-(3-butoxy-2-hydroxypropyl)-4-methylazepan-4-ol
CID 107407215
1-propan-2-yloxy-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 63987410

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol (CID 115826056) is 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol is CC(C)OCC(O)CN1CCC(C)(O)CC1.
What is the InChIKey of 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol?
The InChIKey is RNMOVDHMMQPHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)16-9-11(14)8-13-6-4-12(3,15)5-7-13/h10-11,14-15H,4-9H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol?
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol has a molecular weight of 231.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 115826056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).