1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine

C12H14ClN5 — CID 16764727

IUPAC1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine
SMILESClc1cccc(-n2cnnn2)c1N1CCCCC1
InChIInChI=1S/C12H14ClN5/c13-10-5-4-6-11(18-9-14-15-16-18)12(10)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8H2
InChIKeyCKUUDNAUQHXTBE-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.31
Rot. Bonds2

About 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine

1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine (PubChem CID 16764727) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine.

Molecular Properties

Compound Name1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine
PubChem CID16764727
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine
SMILESClc1cccc(-n2cnnn2)c1N1CCCCC1
InChIInChI=1S/C12H14ClN5/c13-10-5-4-6-11(18-9-14-15-16-18)12(10)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8H2
InChIKeyCKUUDNAUQHXTBE-UHFFFAOYSA-N
XLogP2.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Chlorophenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 1448780
5-chloro-2-(1H-1,2,4-triazol-1-yl)aniline
CID 5019940
5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16773064
1-[3-chloro-2-(pyrrolidin-1-yl)phenyl]-1H-tetrazole
CID 16764726
4-[2-chloro-6-(1H-tetrazol-1-yl)phenyl]morpholine
CID 16764728
1-(3-chloro-4-fluorophenyl)-1H-tetrazole
CID 3809490
3-chloro-2-(1H-1,2,4-triazol-1-yl)aniline
CID 16775256
4-chloro-2-(1H-1,2,4-triazol-1-yl)aniline
CID 84665790
1-(2-Chlorophenyl)-tetrazole
CID 17947746
1-(2-Chloro-3-fluorophenyl)tetrazole
CID 91284429
1-(5-Chloro-2-fluorophenyl)tetrazole
CID 153673223
3-chloro-2-fluoro-N,N-bis(prop-2-enyl)-6-(tetrazol-1-yl)aniline
CID 156448853

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine?
The IUPAC name of 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine (CID 16764727) is 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine.
What is the SMILES notation for 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine?
The canonical SMILES for 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine is Clc1cccc(-n2cnnn2)c1N1CCCCC1.
What is the InChIKey of 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine?
The InChIKey is CKUUDNAUQHXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-10-5-4-6-11(18-9-14-15-16-18)12(10)17-7-2-1-3-8-17/h4-6,9H,1-3,7-8H2.
What are the key properties of 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine?
1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine has a molecular weight of 263.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(tetrazol-1-yl)phenyl]piperidine is sourced from PubChem (CID 16764727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).