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

C15H25N7 — CID 86773540

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCCCCn1nnnc1CN1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C15H25N7/c1-3-4-7-22-15(17-18-19-22)12-21-8-5-13(6-9-21)14-10-16-20(2)11-14/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUCGIWVBPYGKNDJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.59
Rot. Bonds6

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

1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 86773540) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine
PubChem CID86773540
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine
SMILESCCCCn1nnnc1CN1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C15H25N7/c1-3-4-7-22-15(17-18-19-22)12-21-8-5-13(6-9-21)14-10-16-20(2)11-14/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUCGIWVBPYGKNDJ-UHFFFAOYSA-N
XLogP1.59
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104580
1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
1-[1-[(1-butyltetrazol-5-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55174124
(2R)-4-[(1-butyltetrazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95287030
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidin-4-amine
CID 79867375
1-[(1-butyltetrazol-5-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63257489
1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole
CID 95353791
N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 26336170
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
(2S)-4-[(1-butyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95289927
(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309829
1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
CID 63909068

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine (CID 86773540) is 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine is CCCCn1nnnc1CN1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is UCGIWVBPYGKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7/c1-3-4-7-22-15(17-18-19-22)12-21-8-5-13(6-9-21)14-10-16-20(2)11-14/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine?
1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 303.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 86773540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).