propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate

C11H22N2O2 — CID 114700132

IUPACpropan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1CCNCC1C
InChIInChI=1S/C11H22N2O2/c1-8(2)15-11(14)13-7-10-4-5-12-6-9(10)3/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHUKXPLHRXDTRNP-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.37
Rot. Bonds3

About propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate

propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate (PubChem CID 114700132) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
PubChem CID114700132
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepropan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1CCNCC1C
InChIInChI=1S/C11H22N2O2/c1-8(2)15-11(14)13-7-10-4-5-12-6-9(10)3/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHUKXPLHRXDTRNP-UHFFFAOYSA-N
XLogP1.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
CID 103019709
1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 166259351
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 114226274
1-[(3-methylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 114700112
N-[(3-methylpiperidin-4-yl)methyl]-1,1-dioxothiane-2-carboxamide
CID 114699924
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
2-methylpropyl N-(pyrrolidin-3-ylmethyl)carbamate
CID 80563571
2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699967

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate (CID 114700132) is propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate is CC(C)OC(=O)NCC1CCNCC1C.
What is the InChIKey of propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate?
The InChIKey is HUKXPLHRXDTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)15-11(14)13-7-10-4-5-12-6-9(10)3/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate?
propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 114700132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).