bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone

C19H36N2O3 — CID 151322497

IUPACbis[4-(4-hydroxybutyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(CCCCO)CC1)N1CCC(CCCCO)CC1
InChIInChI=1S/C19H36N2O3/c22-15-3-1-5-17-7-11-20(12-8-17)19(24)21-13-9-18(10-14-21)6-2-4-16-23/h17-18,22-23H,1-16H2
InChIKeyOGTIWOCNKKRYEW-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.86
Rot. Bonds8

About bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone

bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone (PubChem CID 151322497) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(4-hydroxybutyl)piperidin-1-yl]methanone
PubChem CID151322497
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Namebis[4-(4-hydroxybutyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(CCCCO)CC1)N1CCC(CCCCO)CC1
InChIInChI=1S/C19H36N2O3/c22-15-3-1-5-17-7-11-20(12-8-17)19(24)21-13-9-18(10-14-21)6-2-4-16-23/h17-18,22-23H,1-16H2
InChIKeyOGTIWOCNKKRYEW-UHFFFAOYSA-N
XLogP2.86
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 19748294
ethane;propan-2-yl 4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 143188885
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
1-(4-heptylpiperidin-1-yl)ethanone
CID 155216374
bis[4-(2-nitroethyl)piperidin-1-yl]methanone
CID 174835884
8-cyclopentyloctan-1-ol
CID 19083491
4-cycloheptylbutan-1-ol
CID 54439965
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
cyclopropyl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200495
2,2,2-tribromo-1-[4-[3-[1-(2,2,2-tribromoacetyl)piperidin-4-yl]propyl]piperidin-1-yl]ethanone
CID 20741078

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone?
The IUPAC name of bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone (CID 151322497) is bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone.
What is the SMILES notation for bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone?
The canonical SMILES for bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone is O=C(N1CCC(CCCCO)CC1)N1CCC(CCCCO)CC1.
What is the InChIKey of bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone?
The InChIKey is OGTIWOCNKKRYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c22-15-3-1-5-17-7-11-20(12-8-17)19(24)21-13-9-18(10-14-21)6-2-4-16-23/h17-18,22-23H,1-16H2.
What are the key properties of bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone?
bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone has a molecular weight of 340.51 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-hydroxybutyl)piperidin-1-yl]methanone is sourced from PubChem (CID 151322497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).