1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene

C17H30N2O — CID 142106560

IUPAC1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene
SMILESC=CC.COC1=CC=C(N2CCN(C)CC2C)[C@@H](C)C1
InChIInChI=1S/C14H24N2O.C3H6/c1-11-9-13(17-4)5-6-14(11)16-8-7-15(3)10-12(16)2;1-3-2/h5-6,11-12H,7-10H2,1-4H3;3H,1H2,2H3/t11-,12?;/m0./s1
InChIKeyKWFBINVCZOHZPH-YLIVSKOQSA-N
MW278.44 g/mol
LogP3.27
Rot. Bonds2

About 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene

1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene (PubChem CID 142106560) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene.

Molecular Properties

Compound Name1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene
PubChem CID142106560
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene
SMILESC=CC.COC1=CC=C(N2CCN(C)CC2C)[C@@H](C)C1
InChIInChI=1S/C14H24N2O.C3H6/c1-11-9-13(17-4)5-6-14(11)16-8-7-15(3)10-12(16)2;1-3-2/h5-6,11-12H,7-10H2,1-4H3;3H,1H2,2H3/t11-,12?;/m0./s1
InChIKeyKWFBINVCZOHZPH-YLIVSKOQSA-N
XLogP3.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene with MolForge

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Related Compounds

(3R)-1-(3-tert-butyl-4-methoxycyclohexa-1,3-dien-1-yl)-3-methylpiperazine
CID 70276953
2-N-(4-methoxycyclohexa-1,3-dien-1-yl)-1-N,2-N,2-trimethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 144662388
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162354
ethane;N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162365
1-(4-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 148531533
1-[1-(5-Methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-3-yl]-4-methylpiperazine
CID 173087015
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine
CID 142106561

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene?
The IUPAC name of 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene (CID 142106560) is 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene.
What is the SMILES notation for 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene?
The canonical SMILES for 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene is C=CC.COC1=CC=C(N2CCN(C)CC2C)[C@@H](C)C1.
What is the InChIKey of 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene?
The InChIKey is KWFBINVCZOHZPH-YLIVSKOQSA-N. The full InChI is InChI=1S/C14H24N2O.C3H6/c1-11-9-13(17-4)5-6-14(11)16-8-7-15(3)10-12(16)2;1-3-2/h5-6,11-12H,7-10H2,1-4H3;3H,1H2,2H3/t11-,12?;/m0./s1.
What are the key properties of 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene?
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene has a molecular weight of 278.44 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene is sourced from PubChem (CID 142106560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).