tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate

C16H29NO2 — CID 174921229

IUPACtert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)19-14(18)16(10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H2,1-3H3
InChIKeyBFBNDOFLAIYMME-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.52
Rot. Bonds2

About tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate

tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate (PubChem CID 174921229) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
PubChem CID174921229
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C16H29NO2/c1-15(2,3)19-14(18)16(10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H2,1-3H3
InChIKeyBFBNDOFLAIYMME-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
CID 167739265
tert-butyl 1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylate
CID 167715885
tert-butyl 1-(4-cyanopiperidin-1-yl)cyclopentane-1-carboxylate
CID 68585532
ethyl 1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066897
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylate
CID 171136657
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200
1-(1-piperidin-1-ylcyclopentyl)butan-1-one
CID 79059234
tert-butyl 1-(4-oxo-4-piperidin-1-ylbutyl)cyclohexane-1-carboxylate
CID 137487632
ethyl 1-amino-4-piperidin-1-ylpiperidine-4-carboxylate
CID 143410783
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
2,2-dimethyl-1-(1-morpholin-4-ylcyclopentyl)propan-1-one
CID 79057514

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate (CID 174921229) is tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate?
The InChIKey is BFBNDOFLAIYMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2,3)19-14(18)16(10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H2,1-3H3.
What are the key properties of tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate?
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 174921229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).