(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine

C12H26N2 — CID 145194084

IUPAC(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C12H26N2/c1-10(2)6-5-7-14-8-11(3)13-12(4)9-14/h10-13H,5-9H2,1-4H3/t11-,12+
InChIKeyAOFYIWUHMYDIPX-TXEJJXNPSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine

(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine (PubChem CID 145194084) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
PubChem CID145194084
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine
SMILESCC(C)CCCN1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C12H26N2/c1-10(2)6-5-7-14-8-11(3)13-12(4)9-14/h10-13H,5-9H2,1-4H3/t11-,12+
InChIKeyAOFYIWUHMYDIPX-TXEJJXNPSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-pentylpiperazine
CID 63862612
(3R,4S)-1-(4-methylpentyl)pyrrolidine-3,4-diol
CID 83160990
1-butan-2-yl-3,5-dimethylpiperazine;1-butyl-3,5-dimethylpiperazine
CID 68570113
3-methyl-1,5-bis(3-methylbutyl)piperazine
CID 156530920
1-ethyl-2,6-dimethyl-4-(4-methylpentyl)piperazine
CID 123267329
1-(2-fluoroethyl)-3,5-dimethylpiperazine
CID 80694947
3-methyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327095
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
1-(3,5-dimethylpiperazin-1-yl)propan-2-amine
CID 67575948
3,5-dimethyl-1-(2-propoxyethyl)piperazine
CID 106455016
4-ethyl-6-methyl-1-(5-methylhexyl)-1,5-diazocane
CID 113287778
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine?
The IUPAC name of (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine (CID 145194084) is (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine?
The canonical SMILES for (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine is CC(C)CCCN1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine?
The InChIKey is AOFYIWUHMYDIPX-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)6-5-7-14-8-11(3)13-12(4)9-14/h10-13H,5-9H2,1-4H3/t11-,12+.
What are the key properties of (3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine?
(3R,5S)-3,5-dimethyl-1-(4-methylpentyl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 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-(4-methylpentyl)piperazine is sourced from PubChem (CID 145194084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).