4-(4-methoxy-1-phenylbutyl)piperidin-1-amine

C16H26N2O — CID 174726761

IUPAC4-(4-methoxy-1-phenylbutyl)piperidin-1-amine
SMILESCOCCCC(c1ccccc1)C1CCN(N)CC1
InChIInChI=1S/C16H26N2O/c1-19-13-5-8-16(14-6-3-2-4-7-14)15-9-11-18(17)12-10-15/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyGGNADPFUGHUNLU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.78
Rot. Bonds6

About 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine

4-(4-methoxy-1-phenylbutyl)piperidin-1-amine (PubChem CID 174726761) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-1-phenylbutyl)piperidin-1-amine
PubChem CID174726761
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(4-methoxy-1-phenylbutyl)piperidin-1-amine
SMILESCOCCCC(c1ccccc1)C1CCN(N)CC1
InChIInChI=1S/C16H26N2O/c1-19-13-5-8-16(14-6-3-2-4-7-14)15-9-11-18(17)12-10-15/h2-4,6-7,15-16H,5,8-13,17H2,1H3
InChIKeyGGNADPFUGHUNLU-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine?
The IUPAC name of 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine (CID 174726761) is 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine.
What is the SMILES notation for 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine?
The canonical SMILES for 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine is COCCCC(c1ccccc1)C1CCN(N)CC1.
What is the InChIKey of 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine?
The InChIKey is GGNADPFUGHUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-19-13-5-8-16(14-6-3-2-4-7-14)15-9-11-18(17)12-10-15/h2-4,6-7,15-16H,5,8-13,17H2,1H3.
What are the key properties of 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine?
4-(4-methoxy-1-phenylbutyl)piperidin-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-1-phenylbutyl)piperidin-1-amine is sourced from PubChem (CID 174726761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).