(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine

C15H28N2 — CID 70355896

IUPAC(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine
SMILESCC1C=CCC([C@@H](C)N2CC(C)N[C@@H](C)C2)C1
InChIInChI=1S/C15H28N2/c1-11-6-5-7-15(8-11)14(4)17-9-12(2)16-13(3)10-17/h5-6,11-16H,7-10H2,1-4H3/t11?,12-,13?,14+,15?/m0/s1
InChIKeyOWNWZBXIZDWFEB-VNECMYLUSA-N
MW236.40 g/mol
LogP2.66
Rot. Bonds2

About (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine

(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine (PubChem CID 70355896) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine
PubChem CID70355896
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine
SMILESCC1C=CCC([C@@H](C)N2CC(C)N[C@@H](C)C2)C1
InChIInChI=1S/C15H28N2/c1-11-6-5-7-15(8-11)14(4)17-9-12(2)16-13(3)10-17/h5-6,11-16H,7-10H2,1-4H3/t11?,12-,13?,14+,15?/m0/s1
InChIKeyOWNWZBXIZDWFEB-VNECMYLUSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine with MolForge

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
1-Cyclohex-3-enylmethyl-piperidin-4-ylamine
CID 53407205
1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
CID 24850675
2-(piperazin-1-yl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 2867167
Cambridge id 5427124
CID 2845926
Cambridge id 5427294
CID 2845938
1-(Butan-2-yl)-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 2881666
1-(Cyclohex-3-en-1-ylmethyl)-4-(pentan-3-yl)piperazine
CID 3150616
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
CID 75431555
1-(5-fluoro-2-methylcyclohept-4-en-1-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 123207174
(4,6-Difluorocyclohexa-2,4-dien-1-yl)-(1-methylpiperidin-4-yl)methanamine
CID 144474401
(2S)-2-(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
CID 163519561

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine?
The IUPAC name of (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine (CID 70355896) is (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine.
What is the SMILES notation for (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine?
The canonical SMILES for (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine is CC1C=CCC([C@@H](C)N2CC(C)N[C@@H](C)C2)C1.
What is the InChIKey of (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine?
The InChIKey is OWNWZBXIZDWFEB-VNECMYLUSA-N. The full InChI is InChI=1S/C15H28N2/c1-11-6-5-7-15(8-11)14(4)17-9-12(2)16-13(3)10-17/h5-6,11-16H,7-10H2,1-4H3/t11?,12-,13?,14+,15?/m0/s1.
What are the key properties of (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine?
(3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine has a molecular weight of 236.40 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-dimethyl-1-[(1R)-1-(5-methylcyclohex-3-en-1-yl)ethyl]piperazine is sourced from PubChem (CID 70355896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).