5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine

C19H30N2 — CID 64876545

IUPAC5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCc1cccc(CN2CC(C)(C3CC3)NCC2C(C)C)c1
InChIInChI=1S/C19H30N2/c1-14(2)18-11-20-19(4,17-8-9-17)13-21(18)12-16-7-5-6-15(3)10-16/h5-7,10,14,17-18,20H,8-9,11-13H2,1-4H3
InChIKeyCCTIBRKZVGNWNA-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.59
Rot. Bonds4

About 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine

5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine (PubChem CID 64876545) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
PubChem CID64876545
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine
SMILESCc1cccc(CN2CC(C)(C3CC3)NCC2C(C)C)c1
InChIInChI=1S/C19H30N2/c1-14(2)18-11-20-19(4,17-8-9-17)13-21(18)12-16-7-5-6-15(3)10-16/h5-7,10,14,17-18,20H,8-9,11-13H2,1-4H3
InChIKeyCCTIBRKZVGNWNA-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(3-methylphenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64875834
5-cyclopropyl-5-methyl-1-[(6-methyl-3-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64941949
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
2-butan-2-yl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64877873
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298458
1-[(3-bromophenyl)methyl]-3-cyclopropyl-3,7-dimethyl-1,4-diazepane
CID 64871008
2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940605
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64934370

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine (CID 64876545) is 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine is Cc1cccc(CN2CC(C)(C3CC3)NCC2C(C)C)c1.
What is the InChIKey of 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is CCTIBRKZVGNWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)18-11-20-19(4,17-8-9-17)13-21(18)12-16-7-5-6-15(3)10-16/h5-7,10,14,17-18,20H,8-9,11-13H2,1-4H3.
What are the key properties of 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine?
5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-1-[(3-methylphenyl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64876545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).