1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine

C17H35N3 — CID 83199373

IUPAC1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine
SMILESCC(C)(CN1CCN(C(C)(C)C)CC1)C1CCCNC1
InChIInChI=1S/C17H35N3/c1-16(2,3)20-11-9-19(10-12-20)14-17(4,5)15-7-6-8-18-13-15/h15,18H,6-14H2,1-5H3
InChIKeyHDZCGDFDDZAWKX-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds3

About 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine

1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine (PubChem CID 83199373) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine
PubChem CID83199373
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine
SMILESCC(C)(CN1CCN(C(C)(C)C)CC1)C1CCCNC1
InChIInChI=1S/C17H35N3/c1-16(2,3)20-11-9-19(10-12-20)14-17(4,5)15-7-6-8-18-13-15/h15,18H,6-14H2,1-5H3
InChIKeyHDZCGDFDDZAWKX-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine
CID 83198486
4,4-diethyl-1-(2-methyl-2-piperidin-3-ylpropyl)piperidine
CID 83199232
1-(2-cyclobutyl-2-methylpropyl)piperazine
CID 116829836
2-methyl-1-(2-methyl-2-piperidin-3-ylpropyl)azepane
CID 83199088
2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
3-methyl-4-(2-methyl-2-piperidin-3-ylpropyl)morpholine
CID 83198475
(3R)-3-tert-butylpiperidine
CID 59772800
N-(2-methyl-2-piperidin-3-ylpropyl)cyclopropanamine
CID 83200198
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
2-piperidin-3-ylbutan-2-ol
CID 63586087
2-methyl-2-piperidin-3-yl-N-propylpropan-1-amine
CID 83199931
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine (CID 83199373) is 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine is CC(C)(CN1CCN(C(C)(C)C)CC1)C1CCCNC1.
What is the InChIKey of 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine?
The InChIKey is HDZCGDFDDZAWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)20-11-9-19(10-12-20)14-17(4,5)15-7-6-8-18-13-15/h15,18H,6-14H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine?
1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methyl-2-piperidin-3-ylpropyl)piperazine is sourced from PubChem (CID 83199373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).