2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate

C14H27N3O2 — CID 142778163

IUPAC2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-12(2)11-19-14(18)17-7-3-13(4-8-17)16-9-5-15-6-10-16/h12-13,15H,3-11H2,1-2H3
InChIKeyTUMRCRIVEVLFIJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.15
Rot. Bonds3

About 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate

2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate (PubChem CID 142778163) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
PubChem CID142778163
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-12(2)11-19-14(18)17-7-3-13(4-8-17)16-9-5-15-6-10-16/h12-13,15H,3-11H2,1-2H3
InChIKeyTUMRCRIVEVLFIJ-UHFFFAOYSA-N
XLogP1.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
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2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
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3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
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2-methylpropyl 3-aminopyrrolidine-1-carboxylate
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2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
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ethane;2-methylpropyl 4-[(1-acetylpiperidin-4-yl)methyl]piperidine-1-carboxylate
CID 171073059

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate (CID 142778163) is 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate is CC(C)COC(=O)N1CCC(N2CCNCC2)CC1.
What is the InChIKey of 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate?
The InChIKey is TUMRCRIVEVLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(2)11-19-14(18)17-7-3-13(4-8-17)16-9-5-15-6-10-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate?
2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate has a molecular weight of 269.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-piperazin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 142778163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).