1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine

C18H30N2 — CID 63163114

IUPAC1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC1(CC)CCN(Cc2cccc(CNC)c2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)9-11-20(12-10-18)15-17-8-6-7-16(13-17)14-19-3/h6-8,13,19H,4-5,9-12,14-15H2,1-3H3
InChIKeyBAZGZXZZHONRAS-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds6

About 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine

1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 63163114) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID63163114
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCCC1(CC)CCN(Cc2cccc(CNC)c2)CC1
InChIInChI=1S/C18H30N2/c1-4-18(5-2)9-11-20(12-10-18)15-17-8-6-7-16(13-17)14-19-3/h6-8,13,19H,4-5,9-12,14-15H2,1-3H3
InChIKeyBAZGZXZZHONRAS-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4,4-diethylpiperidin-1-yl)methyl]benzonitrile
CID 63160566
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
CID 55249216
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76986732
3-[(4,4-diethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 63158889
1-[3-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107455362
1-[3-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771573
N-methyl-1-[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114172704
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 63160322

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine (CID 63163114) is 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine is CCC1(CC)CCN(Cc2cccc(CNC)c2)CC1.
What is the InChIKey of 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is BAZGZXZZHONRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-18(5-2)9-11-20(12-10-18)15-17-8-6-7-16(13-17)14-19-3/h6-8,13,19H,4-5,9-12,14-15H2,1-3H3.
What are the key properties of 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 63163114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).