1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine

C15H21N5 — CID 72914284

IUPAC1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
SMILESCC(c1ccc(-c2nnnn2C)cc1)N1CCCCC1
InChIInChI=1S/C15H21N5/c1-12(20-10-4-3-5-11-20)13-6-8-14(9-7-13)15-16-17-18-19(15)2/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyXDISMZURNOFGQO-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.42
Rot. Bonds3

About 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine

1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine (PubChem CID 72914284) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
PubChem CID72914284
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
SMILESCC(c1ccc(-c2nnnn2C)cc1)N1CCCCC1
InChIInChI=1S/C15H21N5/c1-12(20-10-4-3-5-11-20)13-6-8-14(9-7-13)15-16-17-18-19(15)2/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyXDISMZURNOFGQO-UHFFFAOYSA-N
XLogP2.42
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine?
The IUPAC name of 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine (CID 72914284) is 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine.
What is the SMILES notation for 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine?
The canonical SMILES for 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine is CC(c1ccc(-c2nnnn2C)cc1)N1CCCCC1.
What is the InChIKey of 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine?
The InChIKey is XDISMZURNOFGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12(20-10-4-3-5-11-20)13-6-8-14(9-7-13)15-16-17-18-19(15)2/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine?
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine has a molecular weight of 271.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine is sourced from PubChem (CID 72914284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).