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

C23H30N2O — CID 10784080

IUPACN-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine
SMILESCC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C23H30N2O/c1-19(2)14-16-25(22-9-6-15-24-17-22)21-10-12-23(13-11-21)26-18-20-7-4-3-5-8-20/h3-5,7-8,10-14,22,24H,6,9,15-18H2,1-2H3
InChIKeyOWAGSUMLXYHBEF-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.79
Rot. Bonds7

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

N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine (PubChem CID 10784080) 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-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine
PubChem CID10784080
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine
SMILESCC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCCNC1
InChIInChI=1S/C23H30N2O/c1-19(2)14-16-25(22-9-6-15-24-17-22)21-10-12-23(13-11-21)26-18-20-7-4-3-5-8-20/h3-5,7-8,10-14,22,24H,6,9,15-18H2,1-2H3
InChIKeyOWAGSUMLXYHBEF-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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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 21190986
1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 54352355
N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 174510501
3-methyl-5-[4-[N-(3-methylbut-2-enyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
CID 70065608
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
N-(4-iodophenyl)-N-(3-methylbut-2-enyl)piperidin-4-amine
CID 18380593
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine (CID 10784080) is N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine is CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCCNC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine?
The InChIKey is OWAGSUMLXYHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-19(2)14-16-25(22-9-6-15-24-17-22)21-10-12-23(13-11-21)26-18-20-7-4-3-5-8-20/h3-5,7-8,10-14,22,24H,6,9,15-18H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine?
N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-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-3-amine is sourced from PubChem (CID 10784080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).