tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine

C21H29NO3 — CID 174386816

IUPACtert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine
SMILESCC(C)(C)OC=O.c1ccc2cc(COC3CCCNC3)ccc2c1
InChIInChI=1S/C16H19NO.C5H10O2/c1-2-5-15-10-13(7-8-14(15)4-1)12-18-16-6-3-9-17-11-16;1-5(2,3)7-4-6/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12H2;4H,1-3H3
InChIKeyIQBDPMZPSYRICI-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine

tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine (PubChem CID 174386816) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine.

Molecular Properties

Compound Nametert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine
PubChem CID174386816
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Nametert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine
SMILESCC(C)(C)OC=O.c1ccc2cc(COC3CCCNC3)ccc2c1
InChIInChI=1S/C16H19NO.C5H10O2/c1-2-5-15-10-13(7-8-14(15)4-1)12-18-16-6-3-9-17-11-16;1-5(2,3)7-4-6/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12H2;4H,1-3H3
InChIKeyIQBDPMZPSYRICI-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Litoxetine
CID 65650
(S)-3-(naphthalen-2-ylmethoxy)pyrrolidine
CID 44592118
(R)-3-(naphthalen-2-ylmethoxy)pyrrolidine
CID 44592119
(3R,4R)-4-[4-(3-Benzyloxy-propoxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine
CID 44278947
(3R,4R)-4-[4-(2-Benzyloxy-ethoxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine
CID 44279451
(2S,3S)-3,5,5-trimethyl-2-(3-naphthalen-2-ylphenyl)morpholin-2-ol
CID 49799643
(3r,4r)-3-(Naphthalen-2-Ylmethoxy)-4-Phenylpiperidine
CID 70789272
(6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
CID 118675691
2-Methyl-2-(naphthalen-1-yl)morpholine
CID 3066054
2,4-Dimethyl-2-(naphthalen-1-yl)morpholine
CID 3066055
Morpholine, 2-(1,1'-biphenyl)-4-yl-2-methyl-, hydrochloride
CID 3066066
2-(4-Cyclohexylnaphthalen-1-yl)-2,4-dimethylmorpholine--hydrogen chloride (1/1)
CID 3066075

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine?
The IUPAC name of tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine (CID 174386816) is tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine.
What is the SMILES notation for tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine?
The canonical SMILES for tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine is CC(C)(C)OC=O.c1ccc2cc(COC3CCCNC3)ccc2c1.
What is the InChIKey of tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine?
The InChIKey is IQBDPMZPSYRICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C5H10O2/c1-2-5-15-10-13(7-8-14(15)4-1)12-18-16-6-3-9-17-11-16;1-5(2,3)7-4-6/h1-2,4-5,7-8,10,16-17H,3,6,9,11-12H2;4H,1-3H3.
What are the key properties of tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine?
tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine has a molecular weight of 343.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-(naphthalen-2-ylmethoxy)piperidine is sourced from PubChem (CID 174386816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).