tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate

C19H29NO4 — CID 71268626

IUPACtert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCOC1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29NO4/c1-18(2,3)24-17(21)20-12-10-19(22-4,11-13-20)15-23-14-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3
InChIKeyQKEXJTPYKPFOLE-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.62
Rot. Bonds5

About tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate

tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate (PubChem CID 71268626) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
PubChem CID71268626
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCOC1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29NO4/c1-18(2,3)24-17(21)20-12-10-19(22-4,11-13-20)15-23-14-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3
InChIKeyQKEXJTPYKPFOLE-UHFFFAOYSA-N
XLogP3.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586
1-O-tert-butyl 3-O-methyl 3-(phenylmethoxymethyl)pyrrolidine-1,3-dicarboxylate
CID 135322814
azane;(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethoxymethyl)pyrrolidine-3-carboxylic acid
CID 135322720
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(phenylmethoxymethyl)azetidine-3-carboxylic acid
CID 130942511
tert-butyl (3R)-3-formyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 166506659
tert-butyl 4-methoxy-4-(4-phenylmethoxyphenyl)piperidine-1-carboxylate
CID 163247926
tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate
CID 18794739
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
tert-butyl 3-(aminomethyl)-3-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 178200596

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate (CID 71268626) is tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate is COC1(COCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
The InChIKey is QKEXJTPYKPFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-18(2,3)24-17(21)20-12-10-19(22-4,11-13-20)15-23-14-16-8-6-5-7-9-16/h5-9H,10-15H2,1-4H3.
What are the key properties of tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate?
tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 71268626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).