N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline

C24H32N2 — CID 142167405

IUPACN-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
SMILESC=C(CC)N(CC1CCCN(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H32N2/c1-3-21(2)26(24-14-8-5-9-15-24)20-23-13-10-17-25(19-23)18-16-22-11-6-4-7-12-22/h4-9,11-12,14-15,23H,2-3,10,13,16-20H2,1H3
InChIKeyBLJPHXWPNCXXQL-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.37
Rot. Bonds8

About N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline

N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline (PubChem CID 142167405) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
PubChem CID142167405
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
SMILESC=C(CC)N(CC1CCCN(CCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C24H32N2/c1-3-21(2)26(24-14-8-5-9-15-24)20-23-13-10-17-25(19-23)18-16-22-11-6-4-7-12-22/h4-9,11-12,14-15,23H,2-3,10,13,16-20H2,1H3
InChIKeyBLJPHXWPNCXXQL-UHFFFAOYSA-N
XLogP5.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-N-[[1-[(2-phenylethylamino)methyl]azepan-3-yl]methyl]propanamide
CID 57086462
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-(1-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 161150903
N-[(1R)-1-phenylethyl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 10271032
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828
2,2,2-trifluoro-N-[(1-methylpiperidin-3-yl)methyl]-N-phenylacetamide
CID 20598070
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
N-phenyl-N-[[1-[(2Z)-2-sulfanylpenta-2,4-dienyl]azepan-3-yl]methyl]propanamide
CID 142099231
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline?
The IUPAC name of N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline (CID 142167405) is N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline.
What is the SMILES notation for N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline?
The canonical SMILES for N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline is C=C(CC)N(CC1CCCN(CCc2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline?
The InChIKey is BLJPHXWPNCXXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-3-21(2)26(24-14-8-5-9-15-24)20-23-13-10-17-25(19-23)18-16-22-11-6-4-7-12-22/h4-9,11-12,14-15,23H,2-3,10,13,16-20H2,1H3.
What are the key properties of N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline?
N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline has a molecular weight of 348.53 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline is sourced from PubChem (CID 142167405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).