4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine

C22H35N5 — CID 1430991

IUPAC4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
SMILESCCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H35N5/c1-6-22(4,5)27-21(23-24-25-27)20(17(2)3)26-14-12-19(13-15-26)16-18-10-8-7-9-11-18/h7-11,17,19-20H,6,12-16H2,1-5H3/t20-/m0/s1
InChIKeyJWNNXUBXAUBATN-FQEVSTJZSA-N
MW369.56 g/mol
LogP4.47
Rot. Bonds7

About 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine

4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine (PubChem CID 1430991) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
PubChem CID1430991
Molecular FormulaC22H35N5
Molecular Weight369.56 g/mol
Exact Mass369.29
IUPAC Name4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
SMILESCCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H35N5/c1-6-22(4,5)27-21(23-24-25-27)20(17(2)3)26-14-12-19(13-15-26)16-18-10-8-7-9-11-18/h7-11,17,19-20H,6,12-16H2,1-5H3/t20-/m0/s1
InChIKeyJWNNXUBXAUBATN-FQEVSTJZSA-N
XLogP4.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 1428697
4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 1431025
1-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]azepane
CID 1432588
3-[(S)-(4-benzylpiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40595093
4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
CID 1431022
4-benzyl-1-(2-methylbutan-2-yl)piperidine
CID 70930058
1-(3-methoxyphenyl)-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 3209061
4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
1-benzyl-4-[(1S)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 1444378
1-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperidine-4-carboxamide
CID 1444441
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
CID 1431560

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine?
The IUPAC name of 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine (CID 1430991) is 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine is CCC(C)(C)n1nnnc1[C@H](C(C)C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine?
The InChIKey is JWNNXUBXAUBATN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H35N5/c1-6-22(4,5)27-21(23-24-25-27)20(17(2)3)26-14-12-19(13-15-26)16-18-10-8-7-9-11-18/h7-11,17,19-20H,6,12-16H2,1-5H3/t20-/m0/s1.
What are the key properties of 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine?
4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine has a molecular weight of 369.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine is sourced from PubChem (CID 1430991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).