tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate

C17H27N3O2 — CID 132508976

IUPACtert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCc1cccc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-13-7-6-8-15(18-13)20-11-9-14(10-12-20)19(5)16(21)22-17(2,3)4/h6-8,14H,9-12H2,1-5H3
InChIKeyBBDIQSPWHDNWQE-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.23
Rot. Bonds2

About tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate (PubChem CID 132508976) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
PubChem CID132508976
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCc1cccc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-13-7-6-8-15(18-13)20-11-9-14(10-12-20)19(5)16(21)22-17(2,3)4/h6-8,14H,9-12H2,1-5H3
InChIKeyBBDIQSPWHDNWQE-UHFFFAOYSA-N
XLogP3.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 166603331
tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 66798728
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
CID 146078134
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67136421
tert-butyl N-[1-[2,6-bis(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate
CID 103595911
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate
CID 177361469

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate (CID 132508976) is tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate is Cc1cccc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate?
The InChIKey is BBDIQSPWHDNWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-7-6-8-15(18-13)20-11-9-14(10-12-20)19(5)16(21)22-17(2,3)4/h6-8,14H,9-12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 132508976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).