2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C19H34N2O2 — CID 58584550

IUPAC2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC(C)(C)C1(C(O)C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)19(9-10-19)16(22)17(23)21-13-7-15(8-14-21)20-11-5-4-6-12-20/h15-16,22H,4-14H2,1-3H3
InChIKeyJYFXKSCZXYAODW-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.65
Rot. Bonds3

About 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58584550) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58584550
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC(C)(C)C1(C(O)C(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)19(9-10-19)16(22)17(23)21-13-7-15(8-14-21)20-11-5-4-6-12-20/h15-16,22H,4-14H2,1-3H3
InChIKeyJYFXKSCZXYAODW-UHFFFAOYSA-N
XLogP2.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 103497901
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 58584459
4-piperidin-1-yl-1-prop-1-en-2-ylpiperidine
CID 143020701
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58584550) is 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CC(C)(C)C1(C(O)C(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is JYFXKSCZXYAODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-18(2,3)19(9-10-19)16(22)17(23)21-13-7-15(8-14-21)20-11-5-4-6-12-20/h15-16,22H,4-14H2,1-3H3.
What are the key properties of 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 322.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylcyclopropyl)-2-hydroxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58584550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).