1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

C35H73F3N6 — CID 159878361

IUPAC1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)N1CCN(C2CC2)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC1CCN(C(C)C)CC1.CCCCNC(C)C
InChIInChI=1S/C10H20N2.C9H17F3N2.C9H19N.C7H17N/c1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-8(2)10-6-4-9(3)5-7-10;1-4-5-6-8-7(2)3/h9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyNTEZRSUMSVHVLQ-UHFFFAOYSA-N
MW635.01 g/mol
LogP6.66
Rot. Bonds9

About 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 159878361) has the molecular formula C35H73F3N6 and a molecular weight of 635.01 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID159878361
Molecular FormulaC35H73F3N6
Molecular Weight635.01 g/mol
Exact Mass634.58
IUPAC Name1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)N1CCN(C2CC2)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC1CCN(C(C)C)CC1.CCCCNC(C)C
InChIInChI=1S/C10H20N2.C9H17F3N2.C9H19N.C7H17N/c1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-8(2)10-6-4-9(3)5-7-10;1-4-5-6-8-7(2)3/h9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3
InChIKeyNTEZRSUMSVHVLQ-UHFFFAOYSA-N
XLogP6.66
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.01
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (CID 159878361) is 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is CC(C)N1CCN(C2CC2)CC1.CC(C)N1CCN(CC(F)(F)F)CC1.CC1CCN(C(C)C)CC1.CCCCNC(C)C.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is NTEZRSUMSVHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H17F3N2.C9H19N.C7H17N/c1-9(2)11-5-7-12(8-6-11)10-3-4-10;1-8(2)14-5-3-13(4-6-14)7-9(10,11)12;1-8(2)10-6-4-9(3)5-7-10;1-4-5-6-8-7(2)3/h9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 635.01 g/mol, XLogP of 6.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;N-propan-2-ylbutan-1-amine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 159878361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).