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

C15H24N2 — CID 43280257

IUPACN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-16-12-14-4-6-15(7-5-14)17-10-8-13(2)9-11-17/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyJBHKMMACMDXFBI-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.03
Rot. Bonds4

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

N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine (PubChem CID 43280257) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
PubChem CID43280257
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-16-12-14-4-6-15(7-5-14)17-10-8-13(2)9-11-17/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyJBHKMMACMDXFBI-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
1-[4-(ethylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670405
N-[[4-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]ethanamine
CID 54977464
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
1-[4-(ethylaminomethyl)phenyl]-4-methylpiperidin-4-ol
CID 81103568
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
1,3-diethyl-2-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111109746
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804
1-butan-2-yl-2-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]guanidine
CID 111545055
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62994333
1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol
CID 126825509

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine (CID 43280257) is N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is JBHKMMACMDXFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-16-12-14-4-6-15(7-5-14)17-10-8-13(2)9-11-17/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine?
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43280257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).