(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine

C12H24N2 — CID 130956949

IUPAC(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
SMILESC[C@@H]1CN(CC2(C)CCC2)C[C@H](C)N1
InChIInChI=1S/C12H24N2/c1-10-7-14(8-11(2)13-10)9-12(3)5-4-6-12/h10-11,13H,4-9H2,1-3H3/t10-,11+
InChIKeyBDUJJGNZMXSFQQ-PHIMTYICSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine

(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine (PubChem CID 130956949) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
PubChem CID130956949
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
SMILESC[C@@H]1CN(CC2(C)CCC2)C[C@H](C)N1
InChIInChI=1S/C12H24N2/c1-10-7-14(8-11(2)13-10)9-12(3)5-4-6-12/h10-11,13H,4-9H2,1-3H3/t10-,11+
InChIKeyBDUJJGNZMXSFQQ-PHIMTYICSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;3-[(1-methylcyclobutyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 178038134
5-[(1-methylcyclobutyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 130174300
1-[(1-methylcyclopentyl)methyl]azetidin-3-amine
CID 130577986
1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
CID 130601346
3-(bromomethyl)-5-methyl-1-[(1-methylcyclobutyl)methyl]piperidine
CID 130855798
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 79180872
4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
CID 55261020
3-[(1-methylcyclopropyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 170374649
1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine
CID 114547129
3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505388
3-tert-butyl-1-[(1-methylcyclopentyl)methyl]-1,4-diazepane
CID 64951197
2-[(1-methylcyclobutyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107094604

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine?
The IUPAC name of (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine (CID 130956949) is (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine?
The canonical SMILES for (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine is C[C@@H]1CN(CC2(C)CCC2)C[C@H](C)N1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine?
The InChIKey is BDUJJGNZMXSFQQ-PHIMTYICSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-7-14(8-11(2)13-10)9-12(3)5-4-6-12/h10-11,13H,4-9H2,1-3H3/t10-,11+.
What are the key properties of (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine?
(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine is sourced from PubChem (CID 130956949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).