4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine

C19H32N2O — CID 18751543

IUPAC4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine
SMILESCOc1cc(C(C)C)ccc1C1CCN(CCCCN)CC1
InChIInChI=1S/C19H32N2O/c1-15(2)17-6-7-18(19(14-17)22-3)16-8-12-21(13-9-16)11-5-4-10-20/h6-7,14-16H,4-5,8-13,20H2,1-3H3
InChIKeyJOVCDDKNTGLWGT-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.74
Rot. Bonds7

About 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine

4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine (PubChem CID 18751543) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine
PubChem CID18751543
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine
SMILESCOc1cc(C(C)C)ccc1C1CCN(CCCCN)CC1
InChIInChI=1S/C19H32N2O/c1-15(2)17-6-7-18(19(14-17)22-3)16-8-12-21(13-9-16)11-5-4-10-20/h6-7,14-16H,4-5,8-13,20H2,1-3H3
InChIKeyJOVCDDKNTGLWGT-UHFFFAOYSA-N
XLogP3.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine (CID 18751543) is 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine is COc1cc(C(C)C)ccc1C1CCN(CCCCN)CC1.
What is the InChIKey of 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine?
The InChIKey is JOVCDDKNTGLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-15(2)17-6-7-18(19(14-17)22-3)16-8-12-21(13-9-16)11-5-4-10-20/h6-7,14-16H,4-5,8-13,20H2,1-3H3.
What are the key properties of 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine?
4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine has a molecular weight of 304.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxy-4-propan-2-ylphenyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 18751543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).