3,3-dimethyl-2-piperazin-1-ylbutan-1-ol

C10H22N2O — CID 61324971

IUPAC3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
SMILESCC(C)(C)C(CO)N1CCNCC1
InChIInChI=1S/C10H22N2O/c1-10(2,3)9(8-13)12-6-4-11-5-7-12/h9,11,13H,4-8H2,1-3H3
InChIKeyTVKQHZHEAVNDFS-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds2

About 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol

3,3-dimethyl-2-piperazin-1-ylbutan-1-ol (PubChem CID 61324971) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
PubChem CID61324971
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3,3-dimethyl-2-piperazin-1-ylbutan-1-ol
SMILESCC(C)(C)C(CO)N1CCNCC1
InChIInChI=1S/C10H22N2O/c1-10(2,3)9(8-13)12-6-4-11-5-7-12/h9,11,13H,4-8H2,1-3H3
InChIKeyTVKQHZHEAVNDFS-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 116860253
3-methyl-2-piperazin-1-ylbutan-1-ol
CID 61317705
1-(3,3-dimethyl-1-phenylbutan-2-yl)piperazine
CID 58172183
(2S)-2-methyl-1-piperazin-1-ylpropane-1,3-diol
CID 163688577
3-piperazin-1-ylbutane-1,2-diol
CID 163627415
(2R)-3,3-dimethyl-2-piperazin-1-ylbutanoic acid
CID 97170402
4-methyl-3-piperazin-1-ylpentan-1-ol
CID 83817608
(3S)-3-(3,5-dibromophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190292
2-[4,7-bis(1-carboxy-2,2-dimethylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]-3,3-dimethylbutanoic acid
CID 67200360
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171178323
1-[(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropyl]piperazine
CID 171288417

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol?
The IUPAC name of 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol (CID 61324971) is 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol is CC(C)(C)C(CO)N1CCNCC1.
What is the InChIKey of 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol?
The InChIKey is TVKQHZHEAVNDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)9(8-13)12-6-4-11-5-7-12/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol?
3,3-dimethyl-2-piperazin-1-ylbutan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-piperazin-1-ylbutan-1-ol is sourced from PubChem (CID 61324971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).