[4-(4-propoxypiperidin-1-yl)phenyl]methanamine

C15H24N2O — CID 28803528

IUPAC[4-(4-propoxypiperidin-1-yl)phenyl]methanamine
SMILESCCCOC1CCN(c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O/c1-2-11-18-15-7-9-17(10-8-15)14-5-3-13(12-16)4-6-14/h3-6,15H,2,7-12,16H2,1H3
InChIKeyJNSKQDSRLCLLRJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.54
Rot. Bonds5

About [4-(4-propoxypiperidin-1-yl)phenyl]methanamine

[4-(4-propoxypiperidin-1-yl)phenyl]methanamine (PubChem CID 28803528) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [4-(4-propoxypiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-propoxypiperidin-1-yl)phenyl]methanamine
PubChem CID28803528
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[4-(4-propoxypiperidin-1-yl)phenyl]methanamine
SMILESCCCOC1CCN(c2ccc(CN)cc2)CC1
InChIInChI=1S/C15H24N2O/c1-2-11-18-15-7-9-17(10-8-15)14-5-3-13(12-16)4-6-14/h3-6,15H,2,7-12,16H2,1H3
InChIKeyJNSKQDSRLCLLRJ-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 166607182
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
N-[[4-(4-ethoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058487
[3-bromo-4-(4-ethoxypiperidin-1-yl)phenyl]methanamine
CID 82795170
9-propoxy-3-pyridin-4-yl-3-azaspiro[5.5]undecane
CID 142061203
3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
CID 80731611
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
[3-bromo-5-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 102813717
2-[1-(4-ethylphenyl)piperidin-4-yl]ethanamine
CID 82289871
[3,5-difluoro-4-(3-propoxypiperidin-1-yl)phenyl]methanamine
CID 63075929
1-[4-(aminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine;azane;4-[4-(dimethylamino)piperidin-1-yl]benzaldehyde
CID 159113137
3-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]oxypropan-1-amine
CID 79736549

Frequently Asked Questions

What is the IUPAC name of [4-(4-propoxypiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-(4-propoxypiperidin-1-yl)phenyl]methanamine (CID 28803528) is [4-(4-propoxypiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(4-propoxypiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(4-propoxypiperidin-1-yl)phenyl]methanamine is CCCOC1CCN(c2ccc(CN)cc2)CC1.
What is the InChIKey of [4-(4-propoxypiperidin-1-yl)phenyl]methanamine?
The InChIKey is JNSKQDSRLCLLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-11-18-15-7-9-17(10-8-15)14-5-3-13(12-16)4-6-14/h3-6,15H,2,7-12,16H2,1H3.
What are the key properties of [4-(4-propoxypiperidin-1-yl)phenyl]methanamine?
[4-(4-propoxypiperidin-1-yl)phenyl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propoxypiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 28803528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).