1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol

C13H27N3O — CID 65448880

IUPAC1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCN(CC(O)CN1CCNCC1)CC1CCC1
InChIInChI=1S/C13H27N3O/c1-15(9-12-3-2-4-12)10-13(17)11-16-7-5-14-6-8-16/h12-14,17H,2-11H2,1H3
InChIKeyXFOKNECMRVCECN-UHFFFAOYSA-N
MW241.38 g/mol
LogP-0.02
Rot. Bonds6

About 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol

1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65448880) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65448880
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCN(CC(O)CN1CCNCC1)CC1CCC1
InChIInChI=1S/C13H27N3O/c1-15(9-12-3-2-4-12)10-13(17)11-16-7-5-14-6-8-16/h12-14,17H,2-11H2,1H3
InChIKeyXFOKNECMRVCECN-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111116685
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
1-[methyl(2-propan-2-yloxyethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 81055538
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 98845810
1-[cyclopropylmethyl(methyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 75405278
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol (CID 65448880) is 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol is CN(CC(O)CN1CCNCC1)CC1CCC1.
What is the InChIKey of 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is XFOKNECMRVCECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(9-12-3-2-4-12)10-13(17)11-16-7-5-14-6-8-16/h12-14,17H,2-11H2,1H3.
What are the key properties of 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol?
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 241.38 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65448880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).