1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol

C19H24N5OS+ — CID 7390809

IUPAC1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C19H23N5OS/c25-16-9-11-23(12-10-16)18(17-7-4-14-26-17)19-20-21-22-24(19)13-8-15-5-2-1-3-6-15/h1-7,14,16,18,25H,8-13H2/p+1/t18-/m0/s1
InChIKeyOLOKJFVXTZTHEK-SFHVURJKSA-O
MW370.50 g/mol
LogP1.11
Rot. Bonds6

About 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol

1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol (PubChem CID 7390809) has the molecular formula C19H24N5OS+ and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol
PubChem CID7390809
Molecular FormulaC19H24N5OS+
Molecular Weight370.50 g/mol
Exact Mass370.17
IUPAC Name1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C19H23N5OS/c25-16-9-11-23(12-10-16)18(17-7-4-14-26-17)19-20-21-22-24(19)13-8-15-5-2-1-3-6-15/h1-7,14,16,18,25H,8-13H2/p+1/t18-/m0/s1
InChIKeyOLOKJFVXTZTHEK-SFHVURJKSA-O
XLogP1.11
TPSA68.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-4-ol
CID 3213464
1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol
CID 7385373
4-[(S)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholin-4-ium
CID 7140876
1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7397446
1-cyclohexyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 3213458
(3R)-3-methyl-1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 6557848
4-[4-[(S)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazin-1-yl]phenol
CID 1454781
4-[(S)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7390819
1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7383165
1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7397408
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7140828
1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397433

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol?
The IUPAC name of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol (CID 7390809) is 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol.
What is the SMILES notation for 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol?
The canonical SMILES for 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol is OC1CC[NH+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol?
The InChIKey is OLOKJFVXTZTHEK-SFHVURJKSA-O. The full InChI is InChI=1S/C19H23N5OS/c25-16-9-11-23(12-10-16)18(17-7-4-14-26-17)19-20-21-22-24(19)13-8-15-5-2-1-3-6-15/h1-7,14,16,18,25H,8-13H2/p+1/t18-/m0/s1.
What are the key properties of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol?
1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol has a molecular weight of 370.50 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol is sourced from PubChem (CID 7390809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).