tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate

C15H29N3O2 — CID 86700515

IUPACtert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-12-11-17(14(19)20-15(2,3)4)9-10-18(12)13-5-7-16-8-6-13/h12-13,16H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyHFQRBLYMOWCSQM-LBPRGKRZSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate

tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate (PubChem CID 86700515) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
PubChem CID86700515
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCNCC1
InChIInChI=1S/C15H29N3O2/c1-12-11-17(14(19)20-15(2,3)4)9-10-18(12)13-5-7-16-8-6-13/h12-13,16H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyHFQRBLYMOWCSQM-LBPRGKRZSA-N
XLogP1.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138543980
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CID 138550018
tert-butyl (9aR)-6-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazine-2-carboxylate
CID 155708042
tert-butyl 4-[5-(chloromethoxycarbonyl)piperidin-3-yl]-3-methylpiperazine-1-carboxylate
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CID 53216205
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CID 71306003
tert-butyl (3S)-3-methyl-4-methylsulfanylpiperazine-1-carboxylate
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tert-butyl 4-cyclopropyl-3-ethynylpiperazine-1-carboxylate
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tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl 3-(2-methylpyrrolidin-1-yl)azetidine-1-carboxylate
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tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate (CID 86700515) is tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate is C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCNCC1.
What is the InChIKey of tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate?
The InChIKey is HFQRBLYMOWCSQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12-11-17(14(19)20-15(2,3)4)9-10-18(12)13-5-7-16-8-6-13/h12-13,16H,5-11H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate?
tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-methyl-4-piperidin-4-ylpiperazine-1-carboxylate is sourced from PubChem (CID 86700515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).