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

C24H32N2O — CID 174510501

IUPACN-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)=CCN(Cc1ccc(OCc2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C24H32N2O/c1-20(2)14-17-26(23-12-15-25-16-13-23)18-21-8-10-24(11-9-21)27-19-22-6-4-3-5-7-22/h3-11,14,23,25H,12-13,15-19H2,1-2H3
InChIKeyDYWLZYVBKDRMPR-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.79
Rot. Bonds8

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

N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine (PubChem CID 174510501) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine
PubChem CID174510501
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)=CCN(Cc1ccc(OCc2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C24H32N2O/c1-20(2)14-17-26(23-12-15-25-16-13-23)18-21-8-10-24(11-9-21)27-19-22-6-4-3-5-7-22/h3-11,14,23,25H,12-13,15-19H2,1-2H3
InChIKeyDYWLZYVBKDRMPR-UHFFFAOYSA-N
XLogP4.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-3-amine
CID 10784080
1-(3-methylbut-2-enoxy)-4-phenylmethoxybenzene
CID 132530536
1-[(4-chlorophenyl)methyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 21190986
N-benzyl-N-(2-phenylethyl)piperidin-4-amine;hydroxy(phenyl)sulfanium
CID 144852641
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
CID 18357130
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
2-[3-[benzyl(piperidin-4-yl)amino]-3-oxopropyl]-5-phenylmethoxybenzamide
CID 173251867
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
1-[(2S)-2-amino-3-methylpentyl]-N-(3-methylbut-2-enyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 54352355
4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441295
4-(4-phenylmethoxyphenyl)sulfonylpiperidine
CID 59862358
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine (CID 174510501) is N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine is CC(C)=CCN(Cc1ccc(OCc2ccccc2)cc1)C1CCNCC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is DYWLZYVBKDRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-20(2)14-17-26(23-12-15-25-16-13-23)18-21-8-10-24(11-9-21)27-19-22-6-4-3-5-7-22/h3-11,14,23,25H,12-13,15-19H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine?
N-(3-methylbut-2-enyl)-N-[(4-phenylmethoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 364.53 g/mol, XLogP of 4.79, 8 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)methyl]piperidin-4-amine is sourced from PubChem (CID 174510501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).