1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone

C17H32N2O — CID 43224257

IUPAC1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-13(20)19-11-9-16(10-12-19)18-15-7-5-14(6-8-15)17(2,3)4/h14-16,18H,5-12H2,1-4H3
InChIKeyMIFLGGICKHRMSM-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds2

About 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone

1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone (PubChem CID 43224257) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone
PubChem CID43224257
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H32N2O/c1-13(20)19-11-9-16(10-12-19)18-15-7-5-14(6-8-15)17(2,3)4/h14-16,18H,5-12H2,1-4H3
InChIKeyMIFLGGICKHRMSM-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone (CID 43224257) is 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone?
The InChIKey is MIFLGGICKHRMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(20)19-11-9-16(10-12-19)18-15-7-5-14(6-8-15)17(2,3)4/h14-16,18H,5-12H2,1-4H3.
What are the key properties of 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone?
1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butylcyclohexyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43224257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).