tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate

C16H29NO5 — CID 66817921

IUPACtert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC[C@H]2COC(C)(C)O2)CC1
InChIInChI=1S/C16H29NO5/c1-15(2,3)22-14(18)17-8-6-12(7-9-17)19-10-13-11-20-16(4,5)21-13/h12-13H,6-11H2,1-5H3/t13-/m0/s1
InChIKeyOLHREUKLPDHXTJ-ZDUSSCGKSA-N
MW315.41 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate (PubChem CID 66817921) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate
PubChem CID66817921
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nametert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC[C@H]2COC(C)(C)O2)CC1
InChIInChI=1S/C16H29NO5/c1-15(2,3)22-14(18)17-8-6-12(7-9-17)19-10-13-11-20-16(4,5)21-13/h12-13H,6-11H2,1-5H3/t13-/m0/s1
InChIKeyOLHREUKLPDHXTJ-ZDUSSCGKSA-N
XLogP2.55
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
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CID 91187513
tert-butyl 4-[[4-(hydroxymethyl)cyclohexyl]methoxy]piperidine-1-carboxylate
CID 176864103
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-(piperidin-4-ylmethoxy)piperidine-1-carboxylate
CID 58808171
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-but-2-ynoxypiperidine-1-carboxylate
CID 154957626
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate (CID 66817921) is tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC[C@H]2COC(C)(C)O2)CC1.
What is the InChIKey of tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is OLHREUKLPDHXTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29NO5/c1-15(2,3)22-14(18)17-8-6-12(7-9-17)19-10-13-11-20-16(4,5)21-13/h12-13H,6-11H2,1-5H3/t13-/m0/s1.
What are the key properties of tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 66817921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).