[2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol

C12H24N2O2 — CID 91321087

IUPAC[2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol
SMILESOCC1CC(C(O)N2CCCCC2)CCN1
InChIInChI=1S/C12H24N2O2/c15-9-11-8-10(4-5-13-11)12(16)14-6-2-1-3-7-14/h10-13,15-16H,1-9H2
InChIKeyBVRQDRKRABIJND-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.15
Rot. Bonds3

About [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol

[2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol (PubChem CID 91321087) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol
PubChem CID91321087
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol
SMILESOCC1CC(C(O)N2CCCCC2)CCN1
InChIInChI=1S/C12H24N2O2/c15-9-11-8-10(4-5-13-11)12(16)14-6-2-1-3-7-14/h10-13,15-16H,1-9H2
InChIKeyBVRQDRKRABIJND-UHFFFAOYSA-N
XLogP0.15
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Hydroxypiperidin-4-yl)piperidin-3-ol
CID 18413459
4-Piperidin-4-ylpiperidin-3-ol
CID 18413461
[2-(Hydroxymethyl)piperidin-4-yl]methanol
CID 21186457
[(8R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-8-yl]methanol
CID 54462370
2-[2-(Hydroxymethyl)piperidin-4-yl]ethanol
CID 57310444
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-8-ylmethanol
CID 67915538
4-(3-Hydroxypiperidin-4-yl)-1-methylpiperidin-3-ol
CID 69529605
1-(4-Piperidinylmethyl)-2-piperidinemethanol
CID 80554301
2-[2-(2-Piperidin-1-ylethoxymethyl)piperidin-3-yl]propan-1-ol
CID 91321172
2-Piperidin-1-yl-4-piperidin-3-ylbutane-1,3-diol
CID 91579071
2-Piperidin-1-yl-1-piperidin-3-ylethanol
CID 115006910
rac-[(2R,4S)-4-(hydroxymethyl)piperidin-2-yl]methanol
CID 118692715

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol?
The IUPAC name of [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol (CID 91321087) is [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol?
The canonical SMILES for [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol is OCC1CC(C(O)N2CCCCC2)CCN1.
What is the InChIKey of [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol?
The InChIKey is BVRQDRKRABIJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-9-11-8-10(4-5-13-11)12(16)14-6-2-1-3-7-14/h10-13,15-16H,1-9H2.
What are the key properties of [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol?
[2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol has a molecular weight of 228.34 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-4-yl]-piperidin-1-ylmethanol is sourced from PubChem (CID 91321087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).