N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine

C18H30N2 — CID 127038227

IUPACN,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1ccc(C2CCCN(C)C2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)12-20(4)13-16-7-9-17(10-8-16)18-6-5-11-19(3)14-18/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyWEOYEFIGGYIXMQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.58
Rot. Bonds5

About N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine

N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine (PubChem CID 127038227) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine
PubChem CID127038227
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine
SMILESCC(C)CN(C)Cc1ccc(C2CCCN(C)C2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)12-20(4)13-16-7-9-17(10-8-16)18-6-5-11-19(3)14-18/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyWEOYEFIGGYIXMQ-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-methylpiperidin-3-yl)phenyl]methanol
CID 58393220
N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine
CID 116988181
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
[4-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836852
3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
CID 116988194
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
N-(chloromethyl)-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 115263158
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
4-[(3R)-1-methylpiperidin-3-yl]benzene-1,2-diol
CID 92966347
2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 84778677

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine (CID 127038227) is N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine is CC(C)CN(C)Cc1ccc(C2CCCN(C)C2)cc1.
What is the InChIKey of N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine?
The InChIKey is WEOYEFIGGYIXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)12-20(4)13-16-7-9-17(10-8-16)18-6-5-11-19(3)14-18/h7-10,15,18H,5-6,11-14H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine?
N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 127038227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).