CID 59303854

C9H15NO2 — CID 59303854

IUPAC—
SMILES[CH]C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C9H15NO2/c1-8(12)5-10-4-2-3-9(6-10)7-11/h1,9,11H,2-7H2
InChIKeyPUNZVGJVQVCOKY-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.03
Rot. Bonds3

About CID 59303854

CID 59303854 (PubChem CID 59303854) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol.

Molecular Properties

Compound NameCID 59303854
PubChem CID59303854
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name—
SMILES[CH]C(=O)CN1CCCC(CO)C1
InChIInChI=1S/C9H15NO2/c1-8(12)5-10-4-2-3-9(6-10)7-11/h1,9,11H,2-7H2
InChIKeyPUNZVGJVQVCOKY-UHFFFAOYSA-N
XLogP-0.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-ynylacetamide
CID 60672218
N-cyclopropyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 62022148
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
(1-prop-2-ynylpiperidin-3-yl)methanol
CID 18616526
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-thiophen-2-ylethanone
CID 86325588
ethyl 4-[3-(hydroxymethyl)piperidin-1-yl]-3-oxobutanoate
CID 63898307
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
N-(2-ethoxyethyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111974917
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
CID 112626149

Frequently Asked Questions

What is the IUPAC name of CID 59303854?
The IUPAC name of CID 59303854 (CID 59303854) is not available.
What is the SMILES notation for CID 59303854?
The canonical SMILES for CID 59303854 is [CH]C(=O)CN1CCCC(CO)C1.
What is the InChIKey of CID 59303854?
The InChIKey is PUNZVGJVQVCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(12)5-10-4-2-3-9(6-10)7-11/h1,9,11H,2-7H2.
What are the key properties of CID 59303854?
CID 59303854 has a molecular weight of 169.22 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303854 is sourced from PubChem (CID 59303854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).