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

C16H34N2O — CID 171627744

IUPACethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one
SMILESCC.CCCCC(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C14H28N2O.C2H6/c1-4-5-6-14(17)16-9-7-13(8-10-16)11-15-12(2)3;1-2/h12-13,15H,4-11H2,1-3H3;1-2H3
InChIKeyBAGXFAARBNFBJG-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.44
Rot. Bonds6

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

ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one (PubChem CID 171627744) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one
PubChem CID171627744
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Nameethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one
SMILESCC.CCCCC(=O)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C14H28N2O.C2H6/c1-4-5-6-14(17)16-9-7-13(8-10-16)11-15-12(2)3;1-2/h12-13,15H,4-11H2,1-3H3;1-2H3
InChIKeyBAGXFAARBNFBJG-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
N-[(1-heptylpiperidin-4-yl)methyl]propan-2-amine
CID 62591501
1-[3-(bromomethyl)pyrrolidin-1-yl]pentan-1-one
CID 80668318
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 110725259
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one?
The IUPAC name of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one (CID 171627744) is ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one is CC.CCCCC(=O)N1CCC(CNC(C)C)CC1.
What is the InChIKey of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one?
The InChIKey is BAGXFAARBNFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.C2H6/c1-4-5-6-14(17)16-9-7-13(8-10-16)11-15-12(2)3;1-2/h12-13,15H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one?
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentan-1-one has a molecular weight of 270.46 g/mol, XLogP of 3.44, 6 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]pentan-1-one is sourced from PubChem (CID 171627744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).