1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one

C15H19N5O2 — CID 111470117

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-11(15(22)19-9-7-13(21)8-10-19)20-17-14(16-18-20)12-5-3-2-4-6-12/h2-6,11,13,21H,7-10H2,1H3
InChIKeyDFAMLPHWOXUAMR-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.88
Rot. Bonds3

About 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one

1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one (PubChem CID 111470117) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
PubChem CID111470117
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
SMILESCC(C(=O)N1CCC(O)CC1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C15H19N5O2/c1-11(15(22)19-9-7-13(21)8-10-19)20-17-14(16-18-20)12-5-3-2-4-6-12/h2-6,11,13,21H,7-10H2,1H3
InChIKeyDFAMLPHWOXUAMR-UHFFFAOYSA-N
XLogP0.88
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119413579
1-morpholin-4-yl-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 84602533
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119487364
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 120808963
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one;hydrochloride
CID 120808962
1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)pentan-1-one
CID 142781615
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119644614
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119661883
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 127782724

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one (CID 111470117) is 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one is CC(C(=O)N1CCC(O)CC1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
The InChIKey is DFAMLPHWOXUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11(15(22)19-9-7-13(21)8-10-19)20-17-14(16-18-20)12-5-3-2-4-6-12/h2-6,11,13,21H,7-10H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one?
1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one has a molecular weight of 301.35 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one is sourced from PubChem (CID 111470117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).