4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine

C14H21N5 — CID 66585624

IUPAC4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine
SMILESCc1ccc([C@H](C2CCNCC2)N2NC=NN2)cc1
InChIInChI=1S/C14H21N5/c1-11-2-4-12(5-3-11)14(19-17-10-16-18-19)13-6-8-15-9-7-13/h2-5,10,13-15,18H,6-9H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyJFLWYSQYDFUFGS-CQSZACIVSA-N
MW259.36 g/mol
LogP1.30
Rot. Bonds3

About 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine

4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine (PubChem CID 66585624) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine
PubChem CID66585624
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine
SMILESCc1ccc([C@H](C2CCNCC2)N2NC=NN2)cc1
InChIInChI=1S/C14H21N5/c1-11-2-4-12(5-3-11)14(19-17-10-16-18-19)13-6-8-15-9-7-13/h2-5,10,13-15,18H,6-9H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyJFLWYSQYDFUFGS-CQSZACIVSA-N
XLogP1.30
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine (CID 66585624) is 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine is Cc1ccc([C@H](C2CCNCC2)N2NC=NN2)cc1.
What is the InChIKey of 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine?
The InChIKey is JFLWYSQYDFUFGS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-2-4-12(5-3-11)14(19-17-10-16-18-19)13-6-8-15-9-7-13/h2-5,10,13-15,18H,6-9H2,1H3,(H,16,17)/t14-/m1/s1.
What are the key properties of 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine?
4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine has a molecular weight of 259.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-1,3-dihydrotetrazol-2-yl-(4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 66585624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).