4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine

C12H17N5 — CID 163507784

IUPAC4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine
SMILESC1=CC(C2(c3nn[nH]n3)CCNCC2)=CCC1
InChIInChI=1S/C12H17N5/c1-2-4-10(5-3-1)12(6-8-13-9-7-12)11-14-16-17-15-11/h2,4-5,13H,1,3,6-9H2,(H,14,15,16,17)
InChIKeyDAABBWOEEZNFCC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.10
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine

4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine (PubChem CID 163507784) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine
PubChem CID163507784
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine
SMILESC1=CC(C2(c3nn[nH]n3)CCNCC2)=CCC1
InChIInChI=1S/C12H17N5/c1-2-4-10(5-3-1)12(6-8-13-9-7-12)11-14-16-17-15-11/h2,4-5,13H,1,3,6-9H2,(H,14,15,16,17)
InChIKeyDAABBWOEEZNFCC-UHFFFAOYSA-N
XLogP1.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine (CID 163507784) is 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine is C1=CC(C2(c3nn[nH]n3)CCNCC2)=CCC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine?
The InChIKey is DAABBWOEEZNFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-4-10(5-3-1)12(6-8-13-9-7-12)11-14-16-17-15-11/h2,4-5,13H,1,3,6-9H2,(H,14,15,16,17).
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine?
4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine has a molecular weight of 231.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 163507784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).