tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate

C15H28N2O2 — CID 96536723

IUPACtert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H]2CCCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-9-6-12(7-10-17)13-5-4-8-16-11-13/h12-13,16H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyLCONZSJOQNGGPV-CYBMUJFWSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds1

About tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate (PubChem CID 96536723) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
PubChem CID96536723
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@@H]2CCCNC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-9-6-12(7-10-17)13-5-4-8-16-11-13/h12-13,16H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyLCONZSJOQNGGPV-CYBMUJFWSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 97298298
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
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tert-butyl 3-piperidin-3-yloxypyrrolidine-1-carboxylate
CID 126844367
tert-butyl 4-piperidin-3-yl-1,4-diazepane-1-carboxylate
CID 82564765
tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate
CID 83404845
tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl (5aR,9aR)-3,4,5,5a,6,7,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine-8-carboxylate
CID 124703831

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate (CID 96536723) is tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@@H]2CCCNC2)CC1.
What is the InChIKey of tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate?
The InChIKey is LCONZSJOQNGGPV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-9-6-12(7-10-17)13-5-4-8-16-11-13/h12-13,16H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 96536723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).