(3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine

C13H25N5 — CID 1432437

IUPAC(3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine
SMILESCCC(C)(C)n1nnnc1CN1CCC[C@H](C)C1
InChIInChI=1S/C13H25N5/c1-5-13(3,4)18-12(14-15-16-18)10-17-8-6-7-11(2)9-17/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyZPBDUIJLSRGWEI-NSHDSACASA-N
MW251.38 g/mol
LogP2.05
Rot. Bonds4

About (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine

(3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine (PubChem CID 1432437) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine
PubChem CID1432437
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name(3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine
SMILESCCC(C)(C)n1nnnc1CN1CCC[C@H](C)C1
InChIInChI=1S/C13H25N5/c1-5-13(3,4)18-12(14-15-16-18)10-17-8-6-7-11(2)9-17/h11H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyZPBDUIJLSRGWEI-NSHDSACASA-N
XLogP2.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole
CID 1432295
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 858504
3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperidine
CID 3193570
2-ethyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94526415
N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 43814699
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
CID 655281
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine
CID 3408909
4-bromo-N-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 1443840
5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94424858

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine (CID 1432437) is (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine is CCC(C)(C)n1nnnc1CN1CCC[C@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine?
The InChIKey is ZPBDUIJLSRGWEI-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N5/c1-5-13(3,4)18-12(14-15-16-18)10-17-8-6-7-11(2)9-17/h11H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine?
(3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine has a molecular weight of 251.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 1432437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).