tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate

C17H26N2O3 — CID 24902513

IUPACtert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
SMILESCc1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-13-5-8-18-15(11-13)21-12-14-6-9-19(10-7-14)16(20)22-17(2,3)4/h5,8,11,14H,6-7,9-10,12H2,1-4H3
InChIKeyXWRUIHJYOOAXFA-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate (PubChem CID 24902513) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
PubChem CID24902513
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
SMILESCc1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-13-5-8-18-15(11-13)21-12-14-6-9-19(10-7-14)16(20)22-17(2,3)4/h5,8,11,14H,6-7,9-10,12H2,1-4H3
InChIKeyXWRUIHJYOOAXFA-UHFFFAOYSA-N
XLogP3.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 121294504
tert-butyl 4-[[2,6-difluoro-4-(2-methoxy-4-pyridinyl)phenoxy]methyl]piperidine-1-carboxylate
CID 44610577
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]quinoline-4-carboxylate
CID 176864084
tert-butyl (3S)-4-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]-3-methylpiperazine-1-carboxylate
CID 124876680
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135
tert-butyl 4-[[6-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]pyrimidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 86280107
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
CID 134579774
2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 175684084
tert-butyl 4-[(2,6-difluoro-4-pyridin-4-ylphenoxy)methyl]piperidine-1-carboxylate
CID 44610578
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate (CID 24902513) is tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate is Cc1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is XWRUIHJYOOAXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-8-18-15(11-13)21-12-14-6-9-19(10-7-14)16(20)22-17(2,3)4/h5,8,11,14H,6-7,9-10,12H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 24902513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).