1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine

C21H32N2 — CID 23310308

IUPAC1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](N1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C21H32N2/c1-20(2)18-9-10-21(20,3)19(15-18)23-13-11-22(12-14-23)16-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3/t18-,19+,21-/m0/s1
InChIKeyCZNGCIZXZNNXNW-ZVDOUQERSA-N
MW312.50 g/mol
LogP4.02
Rot. Bonds3

About 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine

1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine (PubChem CID 23310308) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine
PubChem CID23310308
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@H](N1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C21H32N2/c1-20(2)18-9-10-21(20,3)19(15-18)23-13-11-22(12-14-23)16-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3/t18-,19+,21-/m0/s1
InChIKeyCZNGCIZXZNNXNW-ZVDOUQERSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]butan-2-ol
CID 56724982
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
2-(4-benzylpiperazin-1-yl)-N-[(1R,2R,4R)-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98113866
benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 23309137
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(1-benzylpiperidin-4-yl)-dimethylazanium
CID 86306723
1-benzyl-4-(4-benzylpiperazin-1-yl)cyclohexan-1-ol
CID 22122106
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine?
The IUPAC name of 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine (CID 23310308) is 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine is CC1(C)[C@H]2CC[C@@]1(C)[C@H](N1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine?
The InChIKey is CZNGCIZXZNNXNW-ZVDOUQERSA-N. The full InChI is InChI=1S/C21H32N2/c1-20(2)18-9-10-21(20,3)19(15-18)23-13-11-22(12-14-23)16-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3/t18-,19+,21-/m0/s1.
What are the key properties of 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine?
1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine has a molecular weight of 312.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine is sourced from PubChem (CID 23310308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).