(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone

C17H32N2O — CID 114428893

IUPAC(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-5-13-6-9-18-15(12-13)16(20)19-10-7-14(8-11-19)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyOVBGRIQXGOUWQH-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds2

About (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone

(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone (PubChem CID 114428893) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
PubChem CID114428893
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
SMILESCCC1CCNC(C(=O)N2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-5-13-6-9-18-15(12-13)16(20)19-10-7-14(8-11-19)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyOVBGRIQXGOUWQH-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119311371
4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114429367
(4-ethylpiperidin-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 114429590
(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041
(4-ethylpiperidin-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107220216
1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114428989
(4-ethylpiperidin-2-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 114428564
(2,5-dimethylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114429194

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone (CID 114428893) is (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone is CCC1CCNC(C(=O)N2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
The InChIKey is OVBGRIQXGOUWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-13-6-9-18-15(12-13)16(20)19-10-7-14(8-11-19)17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone?
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone has a molecular weight of 280.46 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone is sourced from PubChem (CID 114428893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).