4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine

C15H32N2O — CID 23498121

IUPAC4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCOCCC(C)(CC1CCN(C)CC1)CN(C)C
InChIInChI=1S/C15H32N2O/c1-15(8-11-18-5,13-16(2)3)12-14-6-9-17(4)10-7-14/h14H,6-13H2,1-5H3
InChIKeyVDPFXYLRXLHABC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.32
Rot. Bonds7

About 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine

4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine (PubChem CID 23498121) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine
PubChem CID23498121
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCOCCC(C)(CC1CCN(C)CC1)CN(C)C
InChIInChI=1S/C15H32N2O/c1-15(8-11-18-5,13-16(2)3)12-14-6-9-17(4)10-7-14/h14H,6-13H2,1-5H3
InChIKeyVDPFXYLRXLHABC-UHFFFAOYSA-N
XLogP2.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine?
The IUPAC name of 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine (CID 23498121) is 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine is COCCC(C)(CC1CCN(C)CC1)CN(C)C.
What is the InChIKey of 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine?
The InChIKey is VDPFXYLRXLHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-15(8-11-18-5,13-16(2)3)12-14-6-9-17(4)10-7-14/h14H,6-13H2,1-5H3.
What are the key properties of 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine?
4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N,2-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 23498121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).