[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate

C14H21N3O2 — CID 175065117

IUPAC[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate
SMILESCCN1CCC(c2ccc(N)c(OC(N)=O)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-2-17-7-5-10(6-8-17)11-3-4-12(15)13(9-11)19-14(16)18/h3-4,9-10H,2,5-8,15H2,1H3,(H2,16,18)
InChIKeyFIZTVZLRMGFUCB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.93
Rot. Bonds3

About [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate

[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate (PubChem CID 175065117) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate.

Molecular Properties

Compound Name[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate
PubChem CID175065117
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate
SMILESCCN1CCC(c2ccc(N)c(OC(N)=O)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-2-17-7-5-10(6-8-17)11-3-4-12(15)13(9-11)19-14(16)18/h3-4,9-10H,2,5-8,15H2,1H3,(H2,16,18)
InChIKeyFIZTVZLRMGFUCB-UHFFFAOYSA-N
XLogP1.93
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate?
The IUPAC name of [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate (CID 175065117) is [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate.
What is the SMILES notation for [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate?
The canonical SMILES for [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate is CCN1CCC(c2ccc(N)c(OC(N)=O)c2)CC1.
What is the InChIKey of [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate?
The InChIKey is FIZTVZLRMGFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-17-7-5-10(6-8-17)11-3-4-12(15)13(9-11)19-14(16)18/h3-4,9-10H,2,5-8,15H2,1H3,(H2,16,18).
What are the key properties of [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate?
[2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate has a molecular weight of 263.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(1-ethylpiperidin-4-yl)phenyl] carbamate is sourced from PubChem (CID 175065117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).