1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane

C19H44N2 — CID 143703481

IUPAC1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane
SMILESC.C.C.C.CCC1=CCC[C@@H](N2CCNCC2)C1C(C)C
InChIInChI=1S/C15H28N2.4CH4/c1-4-13-6-5-7-14(15(13)12(2)3)17-10-8-16-9-11-17;;;;/h6,12,14-16H,4-5,7-11H2,1-3H3;4*1H4/t14-,15?;;;;/m1..../s1
InChIKeyPKUUTIRWSDECKJ-JRUYCRMMSA-N
MW300.57 g/mol
LogP5.21
Rot. Bonds3

About 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane

1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane (PubChem CID 143703481) has the molecular formula C19H44N2 and a molecular weight of 300.57 g/mol. Its IUPAC name is 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane.

Molecular Properties

Compound Name1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane
PubChem CID143703481
Molecular FormulaC19H44N2
Molecular Weight300.57 g/mol
Exact Mass300.35
IUPAC Name1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane
SMILESC.C.C.C.CCC1=CCC[C@@H](N2CCNCC2)C1C(C)C
InChIInChI=1S/C15H28N2.4CH4/c1-4-13-6-5-7-14(15(13)12(2)3)17-10-8-16-9-11-17;;;;/h6,12,14-16H,4-5,7-11H2,1-3H3;4*1H4/t14-,15?;;;;/m1..../s1
InChIKeyPKUUTIRWSDECKJ-JRUYCRMMSA-N
XLogP5.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane?
The IUPAC name of 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane (CID 143703481) is 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane.
What is the SMILES notation for 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane?
The canonical SMILES for 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane is C.C.C.C.CCC1=CCC[C@@H](N2CCNCC2)C1C(C)C.
What is the InChIKey of 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane?
The InChIKey is PKUUTIRWSDECKJ-JRUYCRMMSA-N. The full InChI is InChI=1S/C15H28N2.4CH4/c1-4-13-6-5-7-14(15(13)12(2)3)17-10-8-16-9-11-17;;;;/h6,12,14-16H,4-5,7-11H2,1-3H3;4*1H4/t14-,15?;;;;/m1..../s1.
What are the key properties of 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane?
1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane has a molecular weight of 300.57 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-ethyl-2-propan-2-ylcyclohex-3-en-1-yl]piperazine;methane is sourced from PubChem (CID 143703481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).