N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine

C23H30N2O — CID 10641624

IUPACN-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESCC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C23H30N2O/c1-19(2)14-17-25(22-12-15-24-16-13-22)21-8-10-23(11-9-21)26-18-20-6-4-3-5-7-20/h3-11,14,22,24H,12-13,15-18H2,1-2H3
InChIKeyDKEOOZAUGZAKKX-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.79
Rot. Bonds7

About N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine

N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine (PubChem CID 10641624) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
PubChem CID10641624
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
SMILESCC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C23H30N2O/c1-19(2)14-17-25(22-12-15-24-16-13-22)21-8-10-23(11-9-21)26-18-20-6-4-3-5-7-20/h3-11,14,22,24H,12-13,15-18H2,1-2H3
InChIKeyDKEOOZAUGZAKKX-UHFFFAOYSA-N
XLogP4.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine (CID 10641624) is N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine is CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCNCC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
The InChIKey is DKEOOZAUGZAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-19(2)14-17-25(22-12-15-24-16-13-22)21-8-10-23(11-9-21)26-18-20-6-4-3-5-7-20/h3-11,14,22,24H,12-13,15-18H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine?
N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine has a molecular weight of 350.51 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 10641624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).