tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine

C18H29NO3 — CID 174631529

IUPACtert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
SMILESCC(C)(C)OC=O.Cc1ccccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C13H19NO.C5H10O2/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12;1-5(2,3)7-4-6/h2-3,5,7,12,14H,4,6,8-10H2,1H3;4H,1-3H3/t12-;/m1./s1
InChIKeyBNDDEIZMZCIDCF-UTONKHPSSA-N
MW307.43 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine

tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine (PubChem CID 174631529) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Nametert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
PubChem CID174631529
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Nametert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
SMILESCC(C)(C)OC=O.Cc1ccccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C13H19NO.C5H10O2/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12;1-5(2,3)7-4-6/h2-3,5,7,12,14H,4,6,8-10H2,1H3;4H,1-3H3/t12-;/m1./s1
InChIKeyBNDDEIZMZCIDCF-UTONKHPSSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
2-(2-methylphenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595617
3-[(2-methylsulfonylphenoxy)methyl]piperidine
CID 62348042
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine
CID 174520004
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine?
The IUPAC name of tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine (CID 174631529) is tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine.
What is the SMILES notation for tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine?
The canonical SMILES for tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine is CC(C)(C)OC=O.Cc1ccccc1OC[C@@H]1CCCNC1.
What is the InChIKey of tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine?
The InChIKey is BNDDEIZMZCIDCF-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19NO.C5H10O2/c1-11-5-2-3-7-13(11)15-10-12-6-4-8-14-9-12;1-5(2,3)7-4-6/h2-3,5,7,12,14H,4,6,8-10H2,1H3;4H,1-3H3/t12-;/m1./s1.
What are the key properties of tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine?
tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine has a molecular weight of 307.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 174631529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).