1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine

C14H23N7 — CID 51104451

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCCCCn1nnnc1CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H23N7/c1-2-3-8-21-14(17-18-19-21)11-20-9-5-12(6-10-20)13-4-7-15-16-13/h4,7,12H,2-3,5-6,8-11H2,1H3,(H,15,16)
InChIKeyJKQYUHODNCLJPP-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.58
Rot. Bonds6

About 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine

1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 51104451) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
PubChem CID51104451
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCCCCn1nnnc1CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H23N7/c1-2-3-8-21-14(17-18-19-21)11-20-9-5-12(6-10-20)13-4-7-15-16-13/h4,7,12H,2-3,5-6,8-11H2,1H3,(H,15,16)
InChIKeyJKQYUHODNCLJPP-UHFFFAOYSA-N
XLogP1.58
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine (CID 51104451) is 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine is CCCCn1nnnc1CN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is JKQYUHODNCLJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-2-3-8-21-14(17-18-19-21)11-20-9-5-12(6-10-20)13-4-7-15-16-13/h4,7,12H,2-3,5-6,8-11H2,1H3,(H,15,16).
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 289.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 51104451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).