ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

C13H28N2O — CID 156795417

IUPACethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-9(2)12-8-11-4-6-13(7-5-11)10(3)14;1-2/h9,11-12H,4-8H2,1-3H3;1-2H3
InChIKeyNDYVSYHCMGZOPR-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds3

About ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 156795417) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
PubChem CID156795417
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC.CC(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-9(2)12-8-11-4-6-13(7-5-11)10(3)14;1-2/h9,11-12H,4-8H2,1-3H3;1-2H3
InChIKeyNDYVSYHCMGZOPR-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
1-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethanone
CID 96555598
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one
CID 171627744
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
2-methylpropyl 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
1-(4-methylpiperazin-1-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63849279
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (CID 156795417) is ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is CC.CC(=O)N1CCC(CNC(C)C)CC1.
What is the InChIKey of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is NDYVSYHCMGZOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-9(2)12-8-11-4-6-13(7-5-11)10(3)14;1-2/h9,11-12H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 228.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 156795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).