(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine

C11H22N2 — CID 174261411

IUPAC(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
SMILESC[C@H]1CN(CC2CC2)C[C@H](C)N1C
InChIInChI=1S/C11H22N2/c1-9-6-13(8-11-4-5-11)7-10(2)12(9)3/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyOPCNFUHTOPEPCV-UWVGGRQHSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds2

About (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine

(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine (PubChem CID 174261411) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
PubChem CID174261411
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine
SMILESC[C@H]1CN(CC2CC2)C[C@H](C)N1C
InChIInChI=1S/C11H22N2/c1-9-6-13(8-11-4-5-11)7-10(2)12(9)3/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyOPCNFUHTOPEPCV-UWVGGRQHSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
(2S,6R)-4-ethyl-1,2,6-trimethylpiperazine
CID 138484607
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
3-ethyl-1-[(4-ethylcyclohexyl)methyl]azetidine
CID 130320709
(2S,6S)-1,2,6-trimethyl-4-(2-methylpropyl)piperazine
CID 171515774
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
1-(cyclopropylmethyl)-3-fluoroazetidine
CID 131037044
5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537725
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
4-butyl-1,2,6-trimethylpiperazine
CID 126991132

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine?
The IUPAC name of (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine (CID 174261411) is (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine.
What is the SMILES notation for (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine?
The canonical SMILES for (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine is C[C@H]1CN(CC2CC2)C[C@H](C)N1C.
What is the InChIKey of (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine?
The InChIKey is OPCNFUHTOPEPCV-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-6-13(8-11-4-5-11)7-10(2)12(9)3/h9-11H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine?
(2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(cyclopropylmethyl)-1,2,6-trimethylpiperazine is sourced from PubChem (CID 174261411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).