N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine

C15H24N2 — CID 116988181

IUPACN-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C2CCCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-3-16-11-13-6-8-14(9-7-13)15-5-4-10-17(2)12-15/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyBBOFBOKZVZJNTJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds4

About N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine

N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine (PubChem CID 116988181) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine
PubChem CID116988181
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(C2CCCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-3-16-11-13-6-8-14(9-7-13)15-5-4-10-17(2)12-15/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyBBOFBOKZVZJNTJ-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-methylpiperidin-3-yl)phenyl]methanol
CID 58393220
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
3-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutan-1-amine
CID 116988194
N-[(4-piperidin-3-ylphenyl)methyl]ethanamine
CID 116988263
N,2-dimethyl-N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]propan-1-amine
CID 127038227
4-[(3R)-1-methylpiperidin-3-yl]benzene-1,2-diol
CID 92966347
2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
CID 84778677
2-[4-(1-methylpiperidin-3-yl)phenyl]cyclopropane-1-carboxylic acid
CID 116988205
N-[2-chloro-4-(ethylaminomethyl)phenyl]-N,1-dimethylpiperidin-3-amine
CID 81148886
1-methyl-3-(4-prop-1-en-2-ylphenyl)azepane
CID 66742003
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine (CID 116988181) is N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine is CCNCc1ccc(C2CCCN(C)C2)cc1.
What is the InChIKey of N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine?
The InChIKey is BBOFBOKZVZJNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-16-11-13-6-8-14(9-7-13)15-5-4-10-17(2)12-15/h6-9,15-16H,3-5,10-12H2,1-2H3.
What are the key properties of N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine?
N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 116988181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).