2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C15H28N2O2 — CID 110931659

IUPAC2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(CCCCO)CC1)N1CCCC1
InChIInChI=1S/C15H28N2O2/c18-12-4-3-7-16-10-5-14(6-11-16)13-15(19)17-8-1-2-9-17/h14,18H,1-13H2
InChIKeyNZGVRKOWLPFPCL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds6

About 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 110931659) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID110931659
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(CCCCO)CC1)N1CCCC1
InChIInChI=1S/C15H28N2O2/c18-12-4-3-7-16-10-5-14(6-11-16)13-15(19)17-8-1-2-9-17/h14,18H,1-13H2
InChIKeyNZGVRKOWLPFPCL-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5-hydroxypentyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 110923811
2-[1-(5-hydroxypentyl)piperidin-4-yl]acetamide
CID 62228799
1-(azepan-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 110923764
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-cyclobutylethanone
CID 103161379
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
1-piperidin-1-yl-2-(thian-4-yl)ethanone
CID 71917750
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 110931659) is 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCN(CCCCO)CC1)N1CCCC1.
What is the InChIKey of 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NZGVRKOWLPFPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c18-12-4-3-7-16-10-5-14(6-11-16)13-15(19)17-8-1-2-9-17/h14,18H,1-13H2.
What are the key properties of 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxybutyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110931659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).