1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

C12H25NO3 — CID 60635453

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCCC1CO
InChIInChI=1S/C12H25NO3/c1-10(2)16-9-12(15)7-13-6-4-3-5-11(13)8-14/h10-12,14-15H,3-9H2,1-2H3
InChIKeyYHOMMJICOGLCSP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.62
Rot. Bonds6

About 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 60635453) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID60635453
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCCC1CO
InChIInChI=1S/C12H25NO3/c1-10(2)16-9-12(15)7-13-6-4-3-5-11(13)8-14/h10-12,14-15H,3-9H2,1-2H3
InChIKeyYHOMMJICOGLCSP-UHFFFAOYSA-N
XLogP0.62
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 129413626
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422240
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
1-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-2-yl]propan-2-one
CID 106990753
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
CID 21236718

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 60635453) is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is YHOMMJICOGLCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)16-9-12(15)7-13-6-4-3-5-11(13)8-14/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 60635453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).