ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone

C15H24N2O — CID 145194562

IUPACethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
SMILESCC.CNC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H18N2O.C2H6/c1-14-12-7-9-15(10-8-12)13(16)11-5-3-2-4-6-11;1-2/h2-6,12,14H,7-10H2,1H3;1-2H3
InChIKeyVTSSTVOVKDQCBH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.54
Rot. Bonds2

About ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone

ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone (PubChem CID 145194562) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Nameethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
PubChem CID145194562
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Nameethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
SMILESCC.CNC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H18N2O.C2H6/c1-14-12-7-9-15(10-8-12)13(16)11-5-3-2-4-6-11;1-2/h2-6,12,14H,7-10H2,1H3;1-2H3
InChIKeyVTSSTVOVKDQCBH-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
[4-(methylamino)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone
CID 119561943
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
[4-(dimethylamino)piperidin-1-yl]-phenylmethanone;ethane;methanamine
CID 54098461
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
CID 15428765
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone?
The IUPAC name of ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone (CID 145194562) is ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone is CC.CNC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone?
The InChIKey is VTSSTVOVKDQCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.C2H6/c1-14-12-7-9-15(10-8-12)13(16)11-5-3-2-4-6-11;1-2/h2-6,12,14H,7-10H2,1H3;1-2H3.
What are the key properties of ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone?
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone has a molecular weight of 248.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 145194562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).