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

C14H24N2O — CID 142106561

IUPAC1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine
SMILESCOC1=CC=C(N2CCN(C)CC2C)[C@@H](C)C1
InChIInChI=1S/C14H24N2O/c1-11-9-13(17-4)5-6-14(11)16-8-7-15(3)10-12(16)2/h5-6,11-12H,7-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyQHBFATWHDCVMTD-PXYINDEMSA-N
MW236.36 g/mol
LogP2.08
Rot. Bonds2

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

1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine (PubChem CID 142106561) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine
PubChem CID142106561
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine
SMILESCOC1=CC=C(N2CCN(C)CC2C)[C@@H](C)C1
InChIInChI=1S/C14H24N2O/c1-11-9-13(17-4)5-6-14(11)16-8-7-15(3)10-12(16)2/h5-6,11-12H,7-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyQHBFATWHDCVMTD-PXYINDEMSA-N
XLogP2.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3R)-1-(3-tert-butyl-4-methoxycyclohexa-1,3-dien-1-yl)-3-methylpiperazine
CID 70276953
N,6-dimethyl-N-propan-2-yl-4-propan-2-yloxycyclohexa-1,3-dien-1-amine
CID 139474349
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106560
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

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine?
The IUPAC name of 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine (CID 142106561) is 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine.
What is the SMILES notation for 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine?
The canonical SMILES for 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine is 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?
The InChIKey is QHBFATWHDCVMTD-PXYINDEMSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-9-13(17-4)5-6-14(11)16-8-7-15(3)10-12(16)2/h5-6,11-12H,7-10H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of 1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine?
1-[(6S)-4-methoxy-6-methylcyclohexa-1,3-dien-1-yl]-2,4-dimethylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 2.08, 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 is sourced from PubChem (CID 142106561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).