1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine

C25H34N2O2 — CID 143655823

IUPAC1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccc(OCCCC2CCN(CCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C25H34N2O2/c1-21(26)23-10-12-25(13-11-23)28-19-5-7-22-14-17-27(18-15-22)16-6-20-29-24-8-3-2-4-9-24/h2-4,8-13,22,26H,5-7,14-20H2,1H3/b26-21+
InChIKeyKGJJBLPERFKHOO-YYADALCUSA-N
MW394.56 g/mol
LogP5.41
Rot. Bonds11

About 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine

1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine (PubChem CID 143655823) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine.

Molecular Properties

Compound Name1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine
PubChem CID143655823
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine
SMILES[H]/N=C(\C)c1ccc(OCCCC2CCN(CCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C25H34N2O2/c1-21(26)23-10-12-25(13-11-23)28-19-5-7-22-14-17-27(18-15-22)16-6-20-29-24-8-3-2-4-9-24/h2-4,8-13,22,26H,5-7,14-20H2,1H3/b26-21+
InChIKeyKGJJBLPERFKHOO-YYADALCUSA-N
XLogP5.41
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-[1-[3-(4-carbamimidoylphenoxy)propyl]piperidin-4-yl]propoxy]benzenecarboximidate
CID 59869046
[(Z)-[[4-[3-[1-[3-[4-[(Z)-N'-acetyloxycarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]-aminomethylidene]amino] acetate
CID 59263022
N-[4-[3-[1-[3-[4-(1-aminoethenyl)phenoxy]propyl]piperidin-4-yl]propoxy]benzenecarboximidoyl]acetamide
CID 173499011
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
pentyl N-[4-[3-[1-[3-[4-(N-pentoxycarbonylcarbamimidoyl)phenoxy]propyl]piperidin-4-yl]propoxy]benzenecarboximidoyl]carbamate
CID 140533079
benzyl (NZ)-N-[amino-[4-[3-[1-[3-[4-[(Z)-N'-phenylmethoxycarbonylcarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]methylidene]carbamate
CID 59263066
[(Z)-[amino-[4-[3-[1-[3-[4-[(Z)-N'-[(2S)-2-amino-3-phenylpropanoyl]oxycarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]methylidene]amino] 2-amino-3-phenylpropanoate
CID 143163291
4-[3-[1-[3-[4-[(Z)-N'-methoxycarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]-N'-methylbenzenecarboximidamide
CID 59869047
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
propyl (NZ)-N-[amino-[4-[3-[1-[3-[4-[(Z)-N'-propoxycarbonylcarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]methylidene]carbamate
CID 23634156
butyl (NZ)-N-[amino-[4-[3-[1-[3-[4-[(Z)-N'-butoxycarbonylcarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]methylidene]carbamate
CID 22836509
benzyl N-[amino-[4-[3-[1-[3-[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]methylidene]carbamate
CID 172934080

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine?
The IUPAC name of 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine (CID 143655823) is 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine.
What is the SMILES notation for 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine?
The canonical SMILES for 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine is [H]/N=C(\C)c1ccc(OCCCC2CCN(CCCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine?
The InChIKey is KGJJBLPERFKHOO-YYADALCUSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-21(26)23-10-12-25(13-11-23)28-19-5-7-22-14-17-27(18-15-22)16-6-20-29-24-8-3-2-4-9-24/h2-4,8-13,22,26H,5-7,14-20H2,1H3/b26-21+.
What are the key properties of 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine?
1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine has a molecular weight of 394.56 g/mol, XLogP of 5.41, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-(3-phenoxypropyl)piperidin-4-yl]propoxy]phenyl]ethanimine is sourced from PubChem (CID 143655823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).