7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one

C14H28N2O2 — CID 107216980

IUPAC7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H28N2O2/c15-9-4-2-1-3-7-14(18)16-10-5-6-13(12-16)8-11-17/h13,17H,1-12,15H2
InChIKeyQSFWXAXEUYZARV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.52
Rot. Bonds8

About 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one

7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one (PubChem CID 107216980) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
PubChem CID107216980
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H28N2O2/c15-9-4-2-1-3-7-14(18)16-10-5-6-13(12-16)8-11-17/h13,17H,1-12,15H2
InChIKeyQSFWXAXEUYZARV-UHFFFAOYSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.52
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

6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
7-amino-1-(4-ethylazepan-1-yl)heptan-1-one;hydrochloride
CID 119794873
3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107217060
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
CID 80669729

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one (CID 107216980) is 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one is NCCCCCCC(=O)N1CCCC(CCO)C1.
What is the InChIKey of 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
The InChIKey is QSFWXAXEUYZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c15-9-4-2-1-3-7-14(18)16-10-5-6-13(12-16)8-11-17/h13,17H,1-12,15H2.
What are the key properties of 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one?
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one is sourced from PubChem (CID 107216980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).