(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine

C10H20N2 — CID 166077594

IUPAC(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
SMILESC[C@@H]1CN(C2CCC2)C[C@@H](C)N1
InChIInChI=1S/C10H20N2/c1-8-6-12(7-9(2)11-8)10-4-3-5-10/h8-11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNBZDCVCJTZSSIT-RKDXNWHRSA-N
MW168.28 g/mol
LogP1.22
Rot. Bonds1

About (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine

(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine (PubChem CID 166077594) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine.

Molecular Properties

Compound Name(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
PubChem CID166077594
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
SMILESC[C@@H]1CN(C2CCC2)C[C@@H](C)N1
InChIInChI=1S/C10H20N2/c1-8-6-12(7-9(2)11-8)10-4-3-5-10/h8-11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyNBZDCVCJTZSSIT-RKDXNWHRSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65088741
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1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]piperidin-1-yl]ethanone
CID 90163867
1-cyclodecyl-3-methylazetidine
CID 155016918
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
1-cyclobutyl-3,5-dimethylpiperidin-4-ol
CID 170614269
(3S,5S)-1-[3-(difluoromethyl)cyclobutyl]-3,5-dimethylpiperazine
CID 99778390
3,7-dimethyl-1-(4-methylcycloheptyl)-1,5-diazocane
CID 114101785
(2R,6S)-2,6-dimethylpiperidine;hydrochloride
CID 6420071
4-(3-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64943551
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
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CID 131154288

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine?
The IUPAC name of (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine (CID 166077594) is (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine.
What is the SMILES notation for (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine?
The canonical SMILES for (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine is C[C@@H]1CN(C2CCC2)C[C@@H](C)N1.
What is the InChIKey of (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine?
The InChIKey is NBZDCVCJTZSSIT-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-6-12(7-9(2)11-8)10-4-3-5-10/h8-11H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine?
(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine is sourced from PubChem (CID 166077594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).