(5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate

C16H29NO2 — CID 10468204

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3
InChIKeyZMBIWMANKXBTLA-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.07
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate

(5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate (PubChem CID 10468204) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
PubChem CID10468204
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3
InChIKeyZMBIWMANKXBTLA-UHFFFAOYSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate (CID 10468204) is (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate is CC1CCC(C(C)C)C(OC(=O)N2CCCCC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate?
The InChIKey is ZMBIWMANKXBTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate is sourced from PubChem (CID 10468204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).