ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone

C17H27NO — CID 142846441

IUPACethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone
SMILESCC.CCN1CCC(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO.C2H6/c1-2-16-10-8-14(9-11-16)15(17)12-13-6-4-3-5-7-13;1-2/h3-7,14H,2,8-12H2,1H3;1-2H3
InChIKeyRHUJXNSEDOUIDJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds4

About ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone

ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone (PubChem CID 142846441) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone.

Molecular Properties

Compound Nameethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone
PubChem CID142846441
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Nameethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone
SMILESCC.CCN1CCC(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO.C2H6/c1-2-16-10-8-14(9-11-16)15(17)12-13-6-4-3-5-7-13;1-2/h3-7,14H,2,8-12H2,1H3;1-2H3
InChIKeyRHUJXNSEDOUIDJ-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-[1-(1,2-dihydropyrazin-3-ylmethyl)piperidin-4-yl]-2-phenylethanone
CID 141073804
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone
CID 142816425
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103245859
N-(benzenesulfinyl)-1-ethylazepane-4-carboxamide
CID 142996986
1-benzylpiperidine-4-carbonyl chloride
CID 18919767

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone?
The IUPAC name of ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone (CID 142846441) is ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone.
What is the SMILES notation for ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone?
The canonical SMILES for ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone is CC.CCN1CCC(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone?
The InChIKey is RHUJXNSEDOUIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C2H6/c1-2-16-10-8-14(9-11-16)15(17)12-13-6-4-3-5-7-13;1-2/h3-7,14H,2,8-12H2,1H3;1-2H3.
What are the key properties of ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone?
ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone has a molecular weight of 261.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone is sourced from PubChem (CID 142846441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).