1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol

C24H27N6O+ — CID 7385373

IUPAC1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+](C(c2ccc3ncccc3c2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C24H26N6O/c31-21-11-14-29(15-12-21)23(20-8-9-22-19(17-20)7-4-13-25-22)24-26-27-28-30(24)16-10-18-5-2-1-3-6-18/h1-9,13,17,21,23,31H,10-12,14-16H2/p+1
InChIKeyINNHOOLWWLKXHE-UHFFFAOYSA-O
MW415.52 g/mol
LogP1.59
Rot. Bonds6

About 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol

1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol (PubChem CID 7385373) has the molecular formula C24H27N6O+ and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol
PubChem CID7385373
Molecular FormulaC24H27N6O+
Molecular Weight415.52 g/mol
Exact Mass415.22
IUPAC Name1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol
SMILESOC1CC[NH+](C(c2ccc3ncccc3c2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C24H26N6O/c31-21-11-14-29(15-12-21)23(20-8-9-22-19(17-20)7-4-13-25-22)24-26-27-28-30(24)16-10-18-5-2-1-3-6-18/h1-9,13,17,21,23,31H,10-12,14-16H2/p+1
InChIKeyINNHOOLWWLKXHE-UHFFFAOYSA-O
XLogP1.59
TPSA81.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol with MolForge

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Related Compounds

1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol
CID 7390809
6-[(S)-azepan-1-ium-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]quinoline
CID 7140793
2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]-1,3-benzothiazole
CID 3213492
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
4-[(S)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7390819
2-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7383032
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidin-1-ium
CID 6985792
1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397433
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 6985788
4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium
CID 7390833

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol?
The IUPAC name of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol (CID 7385373) is 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol.
What is the SMILES notation for 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol?
The canonical SMILES for 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol is OC1CC[NH+](C(c2ccc3ncccc3c2)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol?
The InChIKey is INNHOOLWWLKXHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N6O/c31-21-11-14-29(15-12-21)23(20-8-9-22-19(17-20)7-4-13-25-22)24-26-27-28-30(24)16-10-18-5-2-1-3-6-18/h1-9,13,17,21,23,31H,10-12,14-16H2/p+1.
What are the key properties of 1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol?
1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol has a molecular weight of 415.52 g/mol, XLogP of 1.59, 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]-quinolin-6-ylmethyl]piperidin-1-ium-4-ol is sourced from PubChem (CID 7385373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).