N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine

C17H28N2 — CID 155200692

IUPACN-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCN(C)Cc1ccc(CC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-18(2)14-17-7-5-15(6-8-17)13-16-9-11-19(3)12-10-16/h5-8,16H,4,9-14H2,1-3H3
InChIKeyLXBUWUFPOMCKKD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine

N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 155200692) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine
PubChem CID155200692
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCN(C)Cc1ccc(CC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-18(2)14-17-7-5-15(6-8-17)13-16-9-11-19(3)12-10-16/h5-8,16H,4,9-14H2,1-3H3
InChIKeyLXBUWUFPOMCKKD-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-methylazepane
CID 123177845
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine
CID 20689417
N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
CID 105347684
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 28680147
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine (CID 155200692) is N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine is CCN(C)Cc1ccc(CC2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is LXBUWUFPOMCKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18(2)14-17-7-5-15(6-8-17)13-16-9-11-19(3)12-10-16/h5-8,16H,4,9-14H2,1-3H3.
What are the key properties of N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine?
N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 155200692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).