(3,3-dimethylpiperidin-4-yl) N-methylcarbamate

C9H18N2O2 — CID 130533515

IUPAC(3,3-dimethylpiperidin-4-yl) N-methylcarbamate
SMILESCNC(=O)OC1CCNCC1(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2)6-11-5-4-7(9)13-8(12)10-3/h7,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyNFYFKRCUDTYTLZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.73
Rot. Bonds1

About (3,3-dimethylpiperidin-4-yl) N-methylcarbamate

(3,3-dimethylpiperidin-4-yl) N-methylcarbamate (PubChem CID 130533515) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-4-yl) N-methylcarbamate.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-4-yl) N-methylcarbamate
PubChem CID130533515
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3,3-dimethylpiperidin-4-yl) N-methylcarbamate
SMILESCNC(=O)OC1CCNCC1(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2)6-11-5-4-7(9)13-8(12)10-3/h7,11H,4-6H2,1-3H3,(H,10,12)
InChIKeyNFYFKRCUDTYTLZ-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-propan-2-yloxypiperidine
CID 130533491
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
1-(3,3-dimethylpiperidin-4-yl)oxy-2-methylpropan-2-ol
CID 130533511
3,3-dimethyl-4-(2-methylpropoxy)piperidine
CID 130533487
methyl 4-hydroxy-3-methylpiperidine-3-carboxylate
CID 66976940
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
methyl 2,3,4,4a,5,6-hexahydro-1H-isoquinoline-8a-carboxylate
CID 141136777
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
CID 132992939
oxetan-2-yl N-methylcarbamate
CID 20764471
2-pyrrolidin-3-ylethyl N-methylcarbamate
CID 114796629
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
2-[(3,3-dimethylpiperidin-4-yl)amino]-N,N-diethylacetamide
CID 114235522

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-4-yl) N-methylcarbamate?
The IUPAC name of (3,3-dimethylpiperidin-4-yl) N-methylcarbamate (CID 130533515) is (3,3-dimethylpiperidin-4-yl) N-methylcarbamate.
What is the SMILES notation for (3,3-dimethylpiperidin-4-yl) N-methylcarbamate?
The canonical SMILES for (3,3-dimethylpiperidin-4-yl) N-methylcarbamate is CNC(=O)OC1CCNCC1(C)C.
What is the InChIKey of (3,3-dimethylpiperidin-4-yl) N-methylcarbamate?
The InChIKey is NFYFKRCUDTYTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)6-11-5-4-7(9)13-8(12)10-3/h7,11H,4-6H2,1-3H3,(H,10,12).
What are the key properties of (3,3-dimethylpiperidin-4-yl) N-methylcarbamate?
(3,3-dimethylpiperidin-4-yl) N-methylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-4-yl) N-methylcarbamate is sourced from PubChem (CID 130533515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).