1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine

C22H32N2 — CID 7441268

IUPAC1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(CC3=CC[C@H]4C[C@H]3C4(C)C)CC2)c1C
InChIInChI=1S/C22H32N2/c1-16-6-5-7-21(17(16)2)24-12-10-23(11-13-24)15-18-8-9-19-14-20(18)22(19,3)4/h5-8,19-20H,9-15H2,1-4H3/t19-,20+/m0/s1
InChIKeyWPTZMIRCGMQQDC-VQTJNVASSA-N
MW324.51 g/mol
LogP4.42
Rot. Bonds3

About 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine

1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 7441268) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID7441268
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(CC3=CC[C@H]4C[C@H]3C4(C)C)CC2)c1C
InChIInChI=1S/C22H32N2/c1-16-6-5-7-21(17(16)2)24-12-10-23(11-13-24)15-18-8-9-19-14-20(18)22(19,3)4/h5-8,19-20H,9-15H2,1-4H3/t19-,20+/m0/s1
InChIKeyWPTZMIRCGMQQDC-VQTJNVASSA-N
XLogP4.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791416
1-(2,3-dimethylphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 1377205
2-chloro-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 80610152
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
1-(2,3-dimethylphenyl)-4-[(4-methylpyrrolidin-3-yl)methyl]piperazine
CID 63715523
(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-2-amine
CID 22689441
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
CID 8582727
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-N,N-diethylaniline
CID 2845785
2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-4-nitrophenol
CID 782645
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2,3-dimethylphenyl)piperazine
CID 4987014
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenol;oxalic acid
CID 163327630
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine (CID 7441268) is 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(CC3=CC[C@H]4C[C@H]3C4(C)C)CC2)c1C.
What is the InChIKey of 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is WPTZMIRCGMQQDC-VQTJNVASSA-N. The full InChI is InChI=1S/C22H32N2/c1-16-6-5-7-21(17(16)2)24-12-10-23(11-13-24)15-18-8-9-19-14-20(18)22(19,3)4/h5-8,19-20H,9-15H2,1-4H3/t19-,20+/m0/s1.
What are the key properties of 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine?
1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 324.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 7441268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).