1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C15H18FN5O2 — CID 70711037

IUPAC1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN5O2/c16-12-1-3-13(4-2-12)23-14-5-8-20(9-6-14)15(22)7-10-21-11-17-18-19-21/h1-4,11,14H,5-10H2
InChIKeyUTYSQZDEOZSYQR-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.27
Rot. Bonds5

About 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 70711037) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID70711037
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESO=C(CCn1cnnn1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN5O2/c16-12-1-3-13(4-2-12)23-14-5-8-20(9-6-14)15(22)7-10-21-11-17-18-19-21/h1-4,11,14H,5-10H2
InChIKeyUTYSQZDEOZSYQR-UHFFFAOYSA-N
XLogP1.27
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 70711037) is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is O=C(CCn1cnnn1)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is UTYSQZDEOZSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c16-12-1-3-13(4-2-12)23-14-5-8-20(9-6-14)15(22)7-10-21-11-17-18-19-21/h1-4,11,14H,5-10H2.
What are the key properties of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 319.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 70711037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).