5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine

C19H30N2 — CID 104830214

IUPAC5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine
SMILESCC(N1CC(C2CC2)NCC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H30N2/c1-14(19(2,3)4)21-13-17(15-10-11-15)20-12-18(21)16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3
InChIKeyJQWMSCVSNVPIPH-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.85
Rot. Bonds3

About 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine

5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine (PubChem CID 104830214) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine
PubChem CID104830214
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine
SMILESCC(N1CC(C2CC2)NCC1c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H30N2/c1-14(19(2,3)4)21-13-17(15-10-11-15)20-12-18(21)16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3
InChIKeyJQWMSCVSNVPIPH-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
CID 64934608
5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
CID 64941267
5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine
CID 104766324
5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
5-cyclopropyl-1-(2,2-dimethylcyclopropyl)-2-phenylpiperazine
CID 64945602
5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine
CID 64946388
5-cyclopropyl-1-(cyclopropylmethyl)-2-phenylpiperazine
CID 64860134
5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine
CID 64931431
5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine
CID 116645559
5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine
CID 64936178
2-benzyl-1-butan-2-yl-5-cyclopropylpiperazine
CID 79446756
5-cyclopropyl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64948199

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine (CID 104830214) is 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine is CC(N1CC(C2CC2)NCC1c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine?
The InChIKey is JQWMSCVSNVPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(19(2,3)4)21-13-17(15-10-11-15)20-12-18(21)16-8-6-5-7-9-16/h5-9,14-15,17-18,20H,10-13H2,1-4H3.
What are the key properties of 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine?
5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine is sourced from PubChem (CID 104830214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).