[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol

C12H25N3O — CID 82509991

IUPAC[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCN1CCC(CO)(CN2CCNCC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-6-2-12(11-16,3-7-14)10-15-8-4-13-5-9-15/h13,16H,2-11H2,1H3
InChIKeyOEDYJYWXORFOFI-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.40
Rot. Bonds3

About [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol

[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 82509991) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID82509991
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
SMILESCN1CCC(CO)(CN2CCNCC2)CC1
InChIInChI=1S/C12H25N3O/c1-14-6-2-12(11-16,3-7-14)10-15-8-4-13-5-9-15/h13,16H,2-11H2,1H3
InChIKeyOEDYJYWXORFOFI-UHFFFAOYSA-N
XLogP-0.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602
ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
CID 171083722
1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
CID 82506013
[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexyl]methanol
CID 62270732
[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol
CID 171656853
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
2-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]ethanol
CID 58284059
[1-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methanol
CID 70641658
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol (CID 82509991) is [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol is CN1CCC(CO)(CN2CCNCC2)CC1.
What is the InChIKey of [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is OEDYJYWXORFOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-14-6-2-12(11-16,3-7-14)10-15-8-4-13-5-9-15/h13,16H,2-11H2,1H3.
What are the key properties of [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol?
[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 82509991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).