ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid

C23H41N5O3 — CID 144957757

IUPACethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
SMILESCC.CC.CCCC(Cc1nn[nH]n1)C(=O)O.Cc1ccc(C2CCNCC2O)cc1
InChIInChI=1S/C12H17NO.C7H12N4O2.2C2H6/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6;2*1-2/h2-5,11-14H,6-8H2,1H3;5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11);2*1-2H3
InChIKeyDFUYZAIKFNTUFH-UHFFFAOYSA-N
MW435.61 g/mol
LogP3.73
Rot. Bonds6

About ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid

ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid (PubChem CID 144957757) has the molecular formula C23H41N5O3 and a molecular weight of 435.61 g/mol. Its IUPAC name is ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid.

Molecular Properties

Compound Nameethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
PubChem CID144957757
Molecular FormulaC23H41N5O3
Molecular Weight435.61 g/mol
Exact Mass435.32
IUPAC Nameethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
SMILESCC.CC.CCCC(Cc1nn[nH]n1)C(=O)O.Cc1ccc(C2CCNCC2O)cc1
InChIInChI=1S/C12H17NO.C7H12N4O2.2C2H6/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6;2*1-2/h2-5,11-14H,6-8H2,1H3;5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11);2*1-2H3
InChIKeyDFUYZAIKFNTUFH-UHFFFAOYSA-N
XLogP3.73
TPSA124.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
CID 144957671
4-(5-methyl-2-pyridinyl)piperidine-1-carboximidamide;2-(2H-tetrazol-5-ylmethyl)pentanoic acid
CID 144957587
2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222804
ethyl 3-[4-(3-hydroxypiperidin-4-yl)phenyl]propanoate
CID 70124953
(2S)-6-methoxy-2-(2H-tetrazol-5-ylmethyl)hexanoic acid
CID 144957467
4-(2-ethylphenyl)-3-(4-methylphenyl)piperidine
CID 79432342
2-[(2Z)-2-amino-2-hydrazinylideneethyl]-4-methylpentanoic acid;ethane;4-(4-methylphenyl)piperidine
CID 144957512
5-[2-cyclopentyl-2-(4-methylphenyl)ethyl]-2H-tetrazole
CID 148696118
methyl 3-(3-hydroxypiperidin-4-yl)benzoate;toluene
CID 174397755
ethane;ethylcarbamic acid;1-methyl-4-phenylbenzene;pyrrolidine;pyrrolidin-3-ol
CID 176952475
4-(4-methylpiperidin-3-yl)benzoic acid
CID 165482617
4-(4-phenylphenyl)-3-propylpiperidine
CID 79310826

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The IUPAC name of ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid (CID 144957757) is ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid.
What is the SMILES notation for ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The canonical SMILES for ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid is CC.CC.CCCC(Cc1nn[nH]n1)C(=O)O.Cc1ccc(C2CCNCC2O)cc1.
What is the InChIKey of ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
The InChIKey is DFUYZAIKFNTUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C7H12N4O2.2C2H6/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14;1-2-3-5(7(12)13)4-6-8-10-11-9-6;2*1-2/h2-5,11-14H,6-8H2,1H3;5H,2-4H2,1H3,(H,12,13)(H,8,9,10,11);2*1-2H3.
What are the key properties of ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid?
ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid has a molecular weight of 435.61 g/mol, XLogP of 3.73, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylphenyl)piperidin-3-ol;2-(2H-tetrazol-5-ylmethyl)pentanoic acid is sourced from PubChem (CID 144957757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).