propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate

C11H22N2O2 — CID 116655183

IUPACpropan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-11(14)12-8-10-4-6-13(3)7-5-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyHKULHNCJQBGIAL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds3

About propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate

propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate (PubChem CID 116655183) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
PubChem CID116655183
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepropan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)15-11(14)12-8-10-4-6-13(3)7-5-10/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyHKULHNCJQBGIAL-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(1-methylpiperidin-4-yl)acetate
CID 83983017
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pent-2-ynamide
CID 146386682
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate (CID 116655183) is propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate is CC(C)OC(=O)NCC1CCN(C)CC1.
What is the InChIKey of propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
The InChIKey is HKULHNCJQBGIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)15-11(14)12-8-10-4-6-13(3)7-5-10/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate?
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 116655183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).