4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine

C22H29N5S — CID 1431022

IUPAC4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
SMILESCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5S/c1-22(2,3)27-21(23-24-25-27)20(19-10-7-15-28-19)26-13-11-18(12-14-26)16-17-8-5-4-6-9-17/h4-10,15,18,20H,11-14,16H2,1-3H3/t20-/m0/s1
InChIKeyNWBGKZHFVJGJGM-FQEVSTJZSA-N
MW395.58 g/mol
LogP4.53
Rot. Bonds5

About 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine

4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine (PubChem CID 1431022) has the molecular formula C22H29N5S and a molecular weight of 395.58 g/mol. Its IUPAC name is 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
PubChem CID1431022
Molecular FormulaC22H29N5S
Molecular Weight395.58 g/mol
Exact Mass395.21
IUPAC Name4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine
SMILESCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H29N5S/c1-22(2,3)27-21(23-24-25-27)20(19-10-7-15-28-19)26-13-11-18(12-14-26)16-17-8-5-4-6-9-17/h4-10,15,18,20H,11-14,16H2,1-3H3/t20-/m0/s1
InChIKeyNWBGKZHFVJGJGM-FQEVSTJZSA-N
XLogP4.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 1431025
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-benzhydryl-4-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine
CID 28626221
4-benzyl-1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 1428697
1-[(R)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-methylpiperazine
CID 1489640
4-benzyl-1-[(1S)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperidine
CID 1430991
1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 3193621
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine;hydrochloride
CID 6603424
1-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-ol
CID 3213464
2-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-3,4-dihydro-1H-isoquinoline
CID 3193383
3-[(S)-(4-benzylpiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40595093
5-[(S)-(4-benzylpiperidin-1-yl)-thiophen-2-ylmethyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 27280364

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
The IUPAC name of 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine (CID 1431022) is 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine is CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
The InChIKey is NWBGKZHFVJGJGM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N5S/c1-22(2,3)27-21(23-24-25-27)20(19-10-7-15-28-19)26-13-11-18(12-14-26)16-17-8-5-4-6-9-17/h4-10,15,18,20H,11-14,16H2,1-3H3/t20-/m0/s1.
What are the key properties of 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine?
4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine has a molecular weight of 395.58 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperidine is sourced from PubChem (CID 1431022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).