ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one

C18H40N2O — CID 176578824

IUPACethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one
SMILESCC.CC.CCC(=O)CN(C)CCCC1CCCN(C)C1
InChIInChI=1S/C14H28N2O.2C2H6/c1-4-14(17)12-16(3)10-6-8-13-7-5-9-15(2)11-13;2*1-2/h13H,4-12H2,1-3H3;2*1-2H3
InChIKeyHNWBBPPOVGWJDN-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.07
Rot. Bonds7

About ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one

ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one (PubChem CID 176578824) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one.

Molecular Properties

Compound Nameethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one
PubChem CID176578824
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Nameethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one
SMILESCC.CC.CCC(=O)CN(C)CCCC1CCCN(C)C1
InChIInChI=1S/C14H28N2O.2C2H6/c1-4-14(17)12-16(3)10-6-8-13-7-5-9-15(2)11-13;2*1-2/h13H,4-12H2,1-3H3;2*1-2H3
InChIKeyHNWBBPPOVGWJDN-UHFFFAOYSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
N-methyl-3-(1-methylpiperidin-3-yl)propanehydrazide
CID 116845050
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
5-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]pentan-2-one
CID 115236802
ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 142068067
ethane;3-ethyl-1-methylpiperidine
CID 142833851
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255
2-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 115165465

Frequently Asked Questions

What is the IUPAC name of ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one?
The IUPAC name of ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one (CID 176578824) is ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one.
What is the SMILES notation for ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one?
The canonical SMILES for ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one is CC.CC.CCC(=O)CN(C)CCCC1CCCN(C)C1.
What is the InChIKey of ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one?
The InChIKey is HNWBBPPOVGWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.2C2H6/c1-4-14(17)12-16(3)10-6-8-13-7-5-9-15(2)11-13;2*1-2/h13H,4-12H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one?
ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one has a molecular weight of 300.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[methyl-[3-(1-methylpiperidin-3-yl)propyl]amino]butan-2-one is sourced from PubChem (CID 176578824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).