(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone

C13H23NO — CID 59600637

IUPAC(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone
SMILESCC(C)(C)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23NO/c1-13(2,3)11-6-8-14(9-7-11)12(15)10-4-5-10/h10-11H,4-9H2,1-3H3
InChIKeyLOHAFOOCMKIHCT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.68
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone

(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone (PubChem CID 59600637) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone
PubChem CID59600637
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone
SMILESCC(C)(C)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H23NO/c1-13(2,3)11-6-8-14(9-7-11)12(15)10-4-5-10/h10-11H,4-9H2,1-3H3
InChIKeyLOHAFOOCMKIHCT-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone (CID 59600637) is (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone is CC(C)(C)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone?
The InChIKey is LOHAFOOCMKIHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2,3)11-6-8-14(9-7-11)12(15)10-4-5-10/h10-11H,4-9H2,1-3H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone?
(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone has a molecular weight of 209.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 59600637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).