(2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate

C14H28N2O2 — CID 156905516

IUPAC(2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate
SMILESCC(C)(C)CC(C)(COC(N)=O)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-14(4,10-18-12(15)17)11-5-7-16-8-6-11/h11,16H,5-10H2,1-4H3,(H2,15,17)
InChIKeyVTYLKWVFBFNPJL-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.52
Rot. Bonds4

About (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate

(2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate (PubChem CID 156905516) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate.

Molecular Properties

Compound Name(2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate
PubChem CID156905516
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate
SMILESCC(C)(C)CC(C)(COC(N)=O)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-13(2,3)9-14(4,10-18-12(15)17)11-5-7-16-8-6-11/h11,16H,5-10H2,1-4H3,(H2,15,17)
InChIKeyVTYLKWVFBFNPJL-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate?
The IUPAC name of (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate (CID 156905516) is (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate.
What is the SMILES notation for (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate?
The canonical SMILES for (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate is CC(C)(C)CC(C)(COC(N)=O)C1CCNCC1.
What is the InChIKey of (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate?
The InChIKey is VTYLKWVFBFNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)9-14(4,10-18-12(15)17)11-5-7-16-8-6-11/h11,16H,5-10H2,1-4H3,(H2,15,17).
What are the key properties of (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate?
(2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,4-trimethyl-2-piperidin-4-ylpentyl) carbamate is sourced from PubChem (CID 156905516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).