tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate

C17H25NO4 — CID 22632413

IUPACtert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(CO)cc2)CC1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-10-8-15(9-11-18)21-14-6-4-13(12-19)5-7-14/h4-7,15,19H,8-12H2,1-3H3
InChIKeyJVRJJDPEIIEIIA-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.96
Rot. Bonds3

About tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate (PubChem CID 22632413) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
PubChem CID22632413
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(CO)cc2)CC1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-10-8-15(9-11-18)21-14-6-4-13(12-19)5-7-14/h4-7,15,19H,8-12H2,1-3H3
InChIKeyJVRJJDPEIIEIIA-UHFFFAOYSA-N
XLogP2.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
tert-butyl 4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]piperidine-1-carboxylate
CID 142898406
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
4-amino-1-[4-[4-(hydroxymethyl)phenoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 68594639
tert-butyl 3-[4-(acetamidomethyl)phenoxy]pyrrolidine-1-carboxylate
CID 123728468
tert-butyl 4-[4-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenoxy]piperidine-1-carboxylate
CID 91229565
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
2-methoxy-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 70065571
tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate
CID 23019436
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate (CID 22632413) is tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(CO)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate?
The InChIKey is JVRJJDPEIIEIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(2,3)22-16(20)18-10-8-15(9-11-18)21-14-6-4-13(12-19)5-7-14/h4-7,15,19H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22632413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).