piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate

C19H22FN3O2 — CID 89183226

IUPACpiperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)OCC1CCNCC1
InChIInChI=1S/C19H22FN3O2/c20-16-4-1-14(2-5-16)15-3-6-17(21)18(11-15)23-19(24)25-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12,21H2,(H,23,24)
InChIKeyLWQUSDBILPALIA-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.62
Rot. Bonds4

About piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate

piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (PubChem CID 89183226) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
PubChem CID89183226
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Namepiperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)OCC1CCNCC1
InChIInChI=1S/C19H22FN3O2/c20-16-4-1-14(2-5-16)15-3-6-17(21)18(11-15)23-19(24)25-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12,21H2,(H,23,24)
InChIKeyLWQUSDBILPALIA-UHFFFAOYSA-N
XLogP3.62
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.62
H-Bond Donors ≤ 53
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 piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The IUPAC name of piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (CID 89183226) is piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The canonical SMILES for piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The InChIKey is LWQUSDBILPALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-4-1-14(2-5-16)15-3-6-17(21)18(11-15)23-19(24)25-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12,21H2,(H,23,24).
What are the key properties of piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate has a molecular weight of 343.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 89183226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).