3-amino-1-(4-hydroxybutyl)piperidin-2-one

C9H18N2O2 — CID 106846824

IUPAC3-amino-1-(4-hydroxybutyl)piperidin-2-one
SMILESNC1CCCN(CCCCO)C1=O
InChIInChI=1S/C9H18N2O2/c10-8-4-3-6-11(9(8)13)5-1-2-7-12/h8,12H,1-7,10H2
InChIKeyFAJIEGSJIOGTIS-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds4

About 3-amino-1-(4-hydroxybutyl)piperidin-2-one

3-amino-1-(4-hydroxybutyl)piperidin-2-one (PubChem CID 106846824) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-amino-1-(4-hydroxybutyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(4-hydroxybutyl)piperidin-2-one
PubChem CID106846824
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-amino-1-(4-hydroxybutyl)piperidin-2-one
SMILESNC1CCCN(CCCCO)C1=O
InChIInChI=1S/C9H18N2O2/c10-8-4-3-6-11(9(8)13)5-1-2-7-12/h8,12H,1-7,10H2
InChIKeyFAJIEGSJIOGTIS-UHFFFAOYSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-1-(4-hydroxybutyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 107849724
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
CID 67416985
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
(3R)-3-amino-1-[2-(dimethylamino)ethyl]piperidin-2-one
CID 95354967
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
CID 10583700
2-(3-amino-2-oxoazonan-1-yl)acetic acid
CID 23322748
(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one
CID 88585322
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one
CID 106432535
3-amino-1-(2,2,2-trifluoroethyl)piperidin-2-one;hydrochloride
CID 130237017
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-hydroxybutyl)piperidin-2-one?
The IUPAC name of 3-amino-1-(4-hydroxybutyl)piperidin-2-one (CID 106846824) is 3-amino-1-(4-hydroxybutyl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(4-hydroxybutyl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(4-hydroxybutyl)piperidin-2-one is NC1CCCN(CCCCO)C1=O.
What is the InChIKey of 3-amino-1-(4-hydroxybutyl)piperidin-2-one?
The InChIKey is FAJIEGSJIOGTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-8-4-3-6-11(9(8)13)5-1-2-7-12/h8,12H,1-7,10H2.
What are the key properties of 3-amino-1-(4-hydroxybutyl)piperidin-2-one?
3-amino-1-(4-hydroxybutyl)piperidin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-hydroxybutyl)piperidin-2-one is sourced from PubChem (CID 106846824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).