tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate

C18H28N2O3 — CID 24902463

IUPACtert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate
SMILESCN(C)c1cccc(OC2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-11-7-10-16(13-20)22-15-9-6-8-14(12-15)19(4)5/h6,8-9,12,16H,7,10-11,13H2,1-5H3
InChIKeyKJZPWKZFVBFSOY-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate

tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate (PubChem CID 24902463) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate
PubChem CID24902463
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate
SMILESCN(C)c1cccc(OC2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-11-7-10-16(13-20)22-15-9-6-8-14(12-15)19(4)5/h6,8-9,12,16H,7,10-11,13H2,1-5H3
InChIKeyKJZPWKZFVBFSOY-UHFFFAOYSA-N
XLogP3.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[3-(dimethylamino)phenoxy]pyrrolidine-1-carboxylate
CID 24902561
tert-butyl 3-(3-iodophenoxy)piperidine-1-carboxylate
CID 67203985
tert-butyl 3-(3-isocyanatophenoxy)piperidine-1-carboxylate
CID 169354657
tert-butyl 3-[3-(dimethylcarbamoyl)phenoxy]pyrrolidine-1-carboxylate
CID 176877608
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
tert-butyl (3S)-3-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenoxy]piperidine-1-carboxylate
CID 99866452
tert-butyl (3R)-3-[4-[(Z)-2-phenylethenyl]phenoxy]piperidine-1-carboxylate
CID 99902919
tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 24902462
tert-butyl 3-[3-[(1S)-1-cyclopropyl-3-methoxy-3-oxopropyl]phenoxy]piperidine-1-carboxylate
CID 122694530
tert-butyl (3R)-3-(3-chloro-4-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 170566656
[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyphenyl]-oxidoazanium
CID 142830467
tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate
CID 57433448

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate (CID 24902463) is tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate is CN(C)c1cccc(OC2CCCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate?
The InChIKey is KJZPWKZFVBFSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-11-7-10-16(13-20)22-15-9-6-8-14(12-15)19(4)5/h6,8-9,12,16H,7,10-11,13H2,1-5H3.
What are the key properties of tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate?
tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 24902463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).