4-[(1-benzyltetrazol-5-yl)methyl]piperidine

C14H19N5 — CID 84709168

IUPAC4-[(1-benzyltetrazol-5-yl)methyl]piperidine
SMILESc1ccc(Cn2nnnc2CC2CCNCC2)cc1
InChIInChI=1S/C14H19N5/c1-2-4-13(5-3-1)11-19-14(16-17-18-19)10-12-6-8-15-9-7-12/h1-5,12,15H,6-11H2
InChIKeyMHABUGRTLZHKCD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.26
Rot. Bonds4

About 4-[(1-benzyltetrazol-5-yl)methyl]piperidine

4-[(1-benzyltetrazol-5-yl)methyl]piperidine (PubChem CID 84709168) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(1-benzyltetrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(1-benzyltetrazol-5-yl)methyl]piperidine
PubChem CID84709168
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-[(1-benzyltetrazol-5-yl)methyl]piperidine
SMILESc1ccc(Cn2nnnc2CC2CCNCC2)cc1
InChIInChI=1S/C14H19N5/c1-2-4-13(5-3-1)11-19-14(16-17-18-19)10-12-6-8-15-9-7-12/h1-5,12,15H,6-11H2
InChIKeyMHABUGRTLZHKCD-UHFFFAOYSA-N
XLogP1.26
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-benzyltetrazol-5-yl)piperidine
CID 84703981
4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
CID 176515378
4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine
CID 84759605
(3R)-1-[(1-benzyltetrazol-5-yl)methyl]-3-methylpiperazine
CID 104975221
1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-ol
CID 62916150
1-[(1-benzyltetrazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113267753
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
(2R,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017567
(2S,6R)-4-[(1-benzyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94017565
4-benzyl-1-[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
CID 7140417
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
1-benzyl-5-chlorotetrazole
CID 46835417

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyltetrazol-5-yl)methyl]piperidine?
The IUPAC name of 4-[(1-benzyltetrazol-5-yl)methyl]piperidine (CID 84709168) is 4-[(1-benzyltetrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 4-[(1-benzyltetrazol-5-yl)methyl]piperidine?
The canonical SMILES for 4-[(1-benzyltetrazol-5-yl)methyl]piperidine is c1ccc(Cn2nnnc2CC2CCNCC2)cc1.
What is the InChIKey of 4-[(1-benzyltetrazol-5-yl)methyl]piperidine?
The InChIKey is MHABUGRTLZHKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-4-13(5-3-1)11-19-14(16-17-18-19)10-12-6-8-15-9-7-12/h1-5,12,15H,6-11H2.
What are the key properties of 4-[(1-benzyltetrazol-5-yl)methyl]piperidine?
4-[(1-benzyltetrazol-5-yl)methyl]piperidine has a molecular weight of 257.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyltetrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 84709168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).