2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol

C18H29N3O2 — CID 143660460

IUPAC2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol
SMILESCC/C=C(\NC1CCN(CCO)CC1)c1ccc(N)c(OC)c1
InChIInChI=1S/C18H29N3O2/c1-3-4-17(14-5-6-16(19)18(13-14)23-2)20-15-7-9-21(10-8-15)11-12-22/h4-6,13,15,20,22H,3,7-12,19H2,1-2H3/b17-4-
InChIKeyCLMXIWFEQQFKCI-INGKJJEOSA-N
MW319.45 g/mol
LogP2.07
Rot. Bonds7

About 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol

2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol (PubChem CID 143660460) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol
PubChem CID143660460
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol
SMILESCC/C=C(\NC1CCN(CCO)CC1)c1ccc(N)c(OC)c1
InChIInChI=1S/C18H29N3O2/c1-3-4-17(14-5-6-16(19)18(13-14)23-2)20-15-7-9-21(10-8-15)11-12-22/h4-6,13,15,20,22H,3,7-12,19H2,1-2H3/b17-4-
InChIKeyCLMXIWFEQQFKCI-INGKJJEOSA-N
XLogP2.07
TPSA70.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol with MolForge

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Related Compounds

4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane
CID 143522216
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
cyclopentyl 2-amino-4-[3-[(4-amino-3-methoxybenzoyl)amino]pyrrolidin-1-yl]butanoate
CID 77400335
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide
CID 175640483
(4-amino-3-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210005
2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809941
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
tert-butyl N-[2-[4-[(4-amino-3-methoxybenzoyl)amino]piperidin-1-yl]ethyl]-N-(3-pent-4-ynoxypropyl)carbamate
CID 156882494

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol (CID 143660460) is 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol is CC/C=C(\NC1CCN(CCO)CC1)c1ccc(N)c(OC)c1.
What is the InChIKey of 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol?
The InChIKey is CLMXIWFEQQFKCI-INGKJJEOSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-4-17(14-5-6-16(19)18(13-14)23-2)20-15-7-9-21(10-8-15)11-12-22/h4-6,13,15,20,22H,3,7-12,19H2,1-2H3/b17-4-.
What are the key properties of 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol?
2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol has a molecular weight of 319.45 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(Z)-1-(4-amino-3-methoxyphenyl)but-1-enyl]amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 143660460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).