tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid

C16H25N3O2 — CID 67243572

IUPACtert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESCc1ccc(N2CCC(N(C(=O)O)C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-14(17-11-12)18-9-7-13(8-10-18)19(15(20)21)16(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,21)
InChIKeyQLCVMOBHMOVQEG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.14
Rot. Bonds2

About tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid

tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid (PubChem CID 67243572) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
PubChem CID67243572
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESCc1ccc(N2CCC(N(C(=O)O)C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H25N3O2/c1-12-5-6-14(17-11-12)18-9-7-13(8-10-18)19(15(20)21)16(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,21)
InChIKeyQLCVMOBHMOVQEG-UHFFFAOYSA-N
XLogP3.14
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
2-cyclopropyl-2-hydroxy-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propanamide
CID 154757649
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 175648675
2-methyl-N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593015
2-methyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-pyrazol-1-ylpropanamide
CID 138034610
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
tert-butyl-[1-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168165

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid (CID 67243572) is tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid is Cc1ccc(N2CCC(N(C(=O)O)C(C)(C)C)CC2)nc1.
What is the InChIKey of tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The InChIKey is QLCVMOBHMOVQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-6-14(17-11-12)18-9-7-13(8-10-18)19(15(20)21)16(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid has a molecular weight of 291.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67243572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).