(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate

C13H26N2O2 — CID 134434543

IUPAC(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-12(16)17-13(5)6-8-15(9-7-13)11(3)4/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyKKQJQLRTSSNGJC-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.38
Rot. Bonds3

About (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate

(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate (PubChem CID 134434543) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate
PubChem CID134434543
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-12(16)17-13(5)6-8-15(9-7-13)11(3)4/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyKKQJQLRTSSNGJC-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1-methylcyclopropyl) N-iodocarbamate
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1-methyl-1-(sulfinocarbamoyloxy)cyclopropane
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N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
CID 63702401
(4-methyl-1-propan-2-ylpiperidin-4-yl)phosphane
CID 175635218
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine
CID 165121785
methyl (1-methylcycloheptyl) carbonate
CID 172553116
methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60797308

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate?
The IUPAC name of (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate (CID 134434543) is (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)OC1(C)CCN(C(C)C)CC1.
What is the InChIKey of (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate?
The InChIKey is KKQJQLRTSSNGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-12(16)17-13(5)6-8-15(9-7-13)11(3)4/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate?
(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate has a molecular weight of 242.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 134434543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).