1-(piperazin-1-ylmethyl)cyclobutan-1-ol

C9H18N2O — CID 82503232

IUPAC1-(piperazin-1-ylmethyl)cyclobutan-1-ol
SMILESOC1(CN2CCNCC2)CCC1
InChIInChI=1S/C9H18N2O/c12-9(2-1-3-9)8-11-6-4-10-5-7-11/h10,12H,1-8H2
InChIKeyBMCUVINQCBNGCV-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.19
Rot. Bonds2

About 1-(piperazin-1-ylmethyl)cyclobutan-1-ol

1-(piperazin-1-ylmethyl)cyclobutan-1-ol (PubChem CID 82503232) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(piperazin-1-ylmethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(piperazin-1-ylmethyl)cyclobutan-1-ol
PubChem CID82503232
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(piperazin-1-ylmethyl)cyclobutan-1-ol
SMILESOC1(CN2CCNCC2)CCC1
InChIInChI=1S/C9H18N2O/c12-9(2-1-3-9)8-11-6-4-10-5-7-11/h10,12H,1-8H2
InChIKeyBMCUVINQCBNGCV-UHFFFAOYSA-N
XLogP-0.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84718848
4-(3-azaspiro[5.5]undecan-3-ylmethyl)piperidin-4-ol
CID 62936913
1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
CID 82506013
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one
CID 126846921
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
1-[(1-fluorocyclopentyl)methyl]piperazine
CID 126845904
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
1-(piperazin-1-ylmethyl)cyclobutane-1-carbonitrile
CID 82503705

Frequently Asked Questions

What is the IUPAC name of 1-(piperazin-1-ylmethyl)cyclobutan-1-ol?
The IUPAC name of 1-(piperazin-1-ylmethyl)cyclobutan-1-ol (CID 82503232) is 1-(piperazin-1-ylmethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(piperazin-1-ylmethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(piperazin-1-ylmethyl)cyclobutan-1-ol is OC1(CN2CCNCC2)CCC1.
What is the InChIKey of 1-(piperazin-1-ylmethyl)cyclobutan-1-ol?
The InChIKey is BMCUVINQCBNGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c12-9(2-1-3-9)8-11-6-4-10-5-7-11/h10,12H,1-8H2.
What are the key properties of 1-(piperazin-1-ylmethyl)cyclobutan-1-ol?
1-(piperazin-1-ylmethyl)cyclobutan-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperazin-1-ylmethyl)cyclobutan-1-ol is sourced from PubChem (CID 82503232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).