1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine

C14H18ClN5 — CID 3184561

IUPAC1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2nnnn2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN5/c1-11-3-2-8-19(9-11)10-14-16-17-18-20(14)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeyRVLQCOVUISJFPW-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.55
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine

1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine (PubChem CID 3184561) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine
PubChem CID3184561
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine
SMILESCC1CCCN(Cc2nnnn2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN5/c1-11-3-2-8-19(9-11)10-14-16-17-18-20(14)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3
InChIKeyRVLQCOVUISJFPW-UHFFFAOYSA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-N,N-dimethylcyclohexanamine
CID 581177
1-[1-(3,4-Dichloro-phenyl)-1H-tetrazol-5-ylmethyl]-piperidine
CID 3165816
1-[1-(4-Chloro-phenyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3167930
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
2-[1-(4-chlorophenyl)-1H-1,2,3,4-tetraazol-5-yl]acetaldehyde 1-methyl-1-phenylhydrazone
CID 9583261
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-4-(3-chloro-phenyl)-piperazine
CID 646653
1-(3-Chloro-phenyl)-4-[1-(1-isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-piperazine
CID 651221
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-(5-chloro-2-methyl-phenyl)-piperazine
CID 655300
1-[1-(1-Isopropyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-phenyl-piperazine
CID 3209417
1-[3-(5-Benzhydryltetrazol-1-yl)propyl]-4-(4-chlorophenyl)piperazine
CID 132578505
1-[4-Chlorophenyl]-N,N-dimethyl-1H-tetrazol-5-amine
CID 539378

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine (CID 3184561) is 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine is CC1CCCN(Cc2nnnn2-c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine?
The InChIKey is RVLQCOVUISJFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-11-3-2-8-19(9-11)10-14-16-17-18-20(14)13-6-4-12(15)5-7-13/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine?
1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine has a molecular weight of 291.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 3184561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).