1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine

C16H32N2 — CID 64877528

IUPAC1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine
SMILESCCCCN1CC(C)(C2CC2)NCC1C(C)(C)C
InChIInChI=1S/C16H32N2/c1-6-7-10-18-12-16(5,13-8-9-13)17-11-14(18)15(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyBPKYKULVRGDGFH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine

1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine (PubChem CID 64877528) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine.

Molecular Properties

Compound Name1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine
PubChem CID64877528
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine
SMILESCCCCN1CC(C)(C2CC2)NCC1C(C)(C)C
InChIInChI=1S/C16H32N2/c1-6-7-10-18-12-16(5,13-8-9-13)17-11-14(18)15(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyBPKYKULVRGDGFH-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170537
2,5-dicyclopropyl-5-methyl-1-pentylpiperazine
CID 64877520
5-cyclopropyl-2-ethyl-1-hexyl-5-methylpiperazine
CID 64876529
2-tert-butyl-5-cyclopropyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82872346
2-tert-butyl-5-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81113839
2-tert-butyl-1-(3-ethylsulfonylpropyl)-5,5-dimethylpiperazine
CID 65097540
5-cyclopropyl-1-(3-ethylsulfonylpropyl)-2,5-dimethylpiperazine
CID 65097008
3-(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64935005
2-butan-2-yl-5-cyclopropyl-5-methyl-1-propylpiperazine
CID 64876547
4-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946958
5-cyclopropyl-2,5-dimethyl-1-(5-methylhexyl)piperazine
CID 113287832
1-butyl-2-tert-butyl-5-cyclopropylpiperazine
CID 64861474

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine?
The IUPAC name of 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine (CID 64877528) is 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine.
What is the SMILES notation for 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine?
The canonical SMILES for 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine is CCCCN1CC(C)(C2CC2)NCC1C(C)(C)C.
What is the InChIKey of 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine?
The InChIKey is BPKYKULVRGDGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-7-10-18-12-16(5,13-8-9-13)17-11-14(18)15(2,3)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine?
1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-tert-butyl-5-cyclopropyl-5-methylpiperazine is sourced from PubChem (CID 64877528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).