tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine

C18H30N2O2 — CID 174609114

IUPACtert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine
SMILESCC(C)(C)OC=O.CCNC1CNCCC1c1ccccc1
InChIInChI=1S/C13H20N2.C5H10O2/c1-2-15-13-10-14-9-8-12(13)11-6-4-3-5-7-11;1-5(2,3)7-4-6/h3-7,12-15H,2,8-10H2,1H3;4H,1-3H3
InChIKeyKNYCWZQQJCNVBV-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine

tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine (PubChem CID 174609114) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine.

Molecular Properties

Compound Nametert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine
PubChem CID174609114
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine
SMILESCC(C)(C)OC=O.CCNC1CNCCC1c1ccccc1
InChIInChI=1S/C13H20N2.C5H10O2/c1-2-15-13-10-14-9-8-12(13)11-6-4-3-5-7-11;1-5(2,3)7-4-6/h3-7,12-15H,2,8-10H2,1H3;4H,1-3H3
InChIKeyKNYCWZQQJCNVBV-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine?
The IUPAC name of tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine (CID 174609114) is tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine.
What is the SMILES notation for tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine?
The canonical SMILES for tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine is CC(C)(C)OC=O.CCNC1CNCCC1c1ccccc1.
What is the InChIKey of tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine?
The InChIKey is KNYCWZQQJCNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C5H10O2/c1-2-15-13-10-14-9-8-12(13)11-6-4-3-5-7-11;1-5(2,3)7-4-6/h3-7,12-15H,2,8-10H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine?
tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine has a molecular weight of 306.45 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-ethyl-4-phenylpiperidin-3-amine is sourced from PubChem (CID 174609114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).