tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate

C16H29NO3 — CID 83404845

IUPACtert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCC(O)C2)CC1
InChIInChI=1S/C16H29NO3/c1-16(2,3)20-15(19)17-9-7-12(8-10-17)13-5-4-6-14(18)11-13/h12-14,18H,4-11H2,1-3H3
InChIKeyKIEBJRTWFPACQW-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.18
Rot. Bonds1

About tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate

tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate (PubChem CID 83404845) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate
PubChem CID83404845
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCC(O)C2)CC1
InChIInChI=1S/C16H29NO3/c1-16(2,3)20-15(19)17-9-7-12(8-10-17)13-5-4-6-14(18)11-13/h12-14,18H,4-11H2,1-3H3
InChIKeyKIEBJRTWFPACQW-UHFFFAOYSA-N
XLogP3.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate (CID 83404845) is tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCCC(O)C2)CC1.
What is the InChIKey of tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate?
The InChIKey is KIEBJRTWFPACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-16(2,3)20-15(19)17-9-7-12(8-10-17)13-5-4-6-14(18)11-13/h12-14,18H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate?
tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxycyclohexyl)piperidine-1-carboxylate is sourced from PubChem (CID 83404845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).